Mrv0541 02231220432D 77 79 0 0 1 0 999 V2000 14.1257 -6.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7399 -5.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3057 -5.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5455 -8.1076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9639 -6.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9075 -7.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2415 -9.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6032 -6.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0877 -6.9077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6092 -4.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3924 -3.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0136 -2.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7243 -10.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7370 -4.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7789 -3.2718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2079 -9.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4936 -11.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7284 -11.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7638 -2.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3575 -2.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4084 -7.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6044 -7.6698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1787 -5.9848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8441 -3.9782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1717 -10.4031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6631 -10.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0368 -8.9210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6503 -4.6131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8604 -8.5026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8604 -10.2098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4084 -10.1812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6939 -8.9437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9795 -10.1812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0302 -6.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3173 -7.2545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5628 -7.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7430 -6.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6148 -6.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7324 -7.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9020 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5549 -6.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0247 -5.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8790 -8.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6075 -8.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8341 -5.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6094 -4.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8883 -7.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3747 -7.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6551 -9.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8947 -8.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6459 -5.3549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0191 -3.9814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8017 -9.8703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1754 -7.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8979 -9.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4881 -10.4511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9793 -5.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9251 -4.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6039 -3.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1786 -8.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4594 -7.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5780 -10.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 -5.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0565 -4.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4657 -8.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7465 -7.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9034 -11.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7497 -8.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2802 -4.0804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1338 -3.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3207 -8.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6078 -8.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6078 -9.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1228 -8.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1228 -9.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4084 -8.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6939 -9.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 1 57 1 0 0 0 0 2 37 2 0 0 0 0 3 38 2 0 0 0 0 4 39 2 0 0 0 0 5 40 2 0 0 0 0 6 48 1 0 0 0 0 7 44 2 0 0 0 0 8 47 2 0 0 0 0 9 48 2 0 0 0 0 10 57 2 0 0 0 0 11 58 1 0 0 0 0 12 59 1 0 0 0 0 13 62 1 0 0 0 0 14 58 2 0 0 0 0 15 59 2 0 0 0 0 16 62 2 0 0 0 0 17 67 1 0 0 0 0 18 67 2 0 0 0 0 19 70 1 0 0 0 0 20 70 2 0 0 0 0 21 76 2 0 0 0 0 35 22 1 6 0 0 0 22 44 1 0 0 0 0 22 47 1 0 0 0 0 51 23 1 1 0 0 0 52 24 1 1 0 0 0 53 25 1 1 0 0 0 56 26 1 1 0 0 0 27 68 1 0 0 0 0 27 71 1 0 0 0 0 69 28 1 6 0 0 0 29 72 1 0 0 0 0 29 74 2 0 0 0 0 30 73 1 0 0 0 0 30 75 2 0 0 0 0 31 75 1 0 0 0 0 31 77 1 0 0 0 0 32 76 1 0 0 0 0 32 77 2 0 0 0 0 33 77 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 35 40 1 0 0 0 0 36 48 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 41 45 1 0 0 0 0 42 46 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 54 1 0 0 0 0 49 53 1 0 0 0 0 50 55 1 0 0 0 0 51 58 1 0 0 0 0 52 59 1 0 0 0 0 53 62 1 0 0 0 0 54 60 2 0 0 0 0 54 61 1 0 0 0 0 55 56 1 0 0 0 0 56 67 1 0 0 0 0 57 63 1 0 0 0 0 60 65 1 0 0 0 0 61 66 2 0 0 0 0 63 64 1 0 0 0 0 64 69 1 0 0 0 0 65 68 2 0 0 0 0 66 68 1 0 0 0 0 69 70 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 M END > BMDB0006563 > bmdb > N[C@@H](CCC(=O)OC(=O)[C@](N(C(=O)CC[C@H](N)C(O)=O)C(=O)C1=CC=C(NCC2=CN=C3NC(N)=NC(=O)C3=N2)C=C1)(C(=O)CC[C@H](N)C(O)=O)C(CC(O)=O)(C(=O)CC[C@H](N)C(O)=O)C(=O)CC[C@H](N)C(O)=O)C(O)=O > InChI=1S/C44H54N12O21/c45-21(36(66)67)5-10-26(57)43(15-30(61)62,27(58)11-6-22(46)37(68)69)44(28(59)12-7-23(47)38(70)71,41(76)77-31(63)14-9-25(49)40(74)75)56(29(60)13-8-24(48)39(72)73)35(65)18-1-3-19(4-2-18)51-16-20-17-52-33-32(53-20)34(64)55-42(50)54-33/h1-4,17,21-25,51H,5-16,45-49H2,(H,61,62)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H3,50,52,54,55,64)/t21-,22-,23-,24-,25-,44+/m0/s1 > FWAQAOUHULVCBP-HCVVFSGQSA-N > C44H54N12O21 > 1086.9674 > 1086.35264685 > 31 > 102.78463436922436 > 0 > 14 > 0 > 0 > (2S,7R,11S)-2,11-diamino-6-[(4S)-4-amino-4-carboxybutanoyl]-7-{N-[(4S)-4-amino-4-carboxybutanoyl]-1-(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido}-7-({[(4S)-4-amino-4-carboxybutanoyl]oxy}carbonyl)-6-(carboxymethyl)-5,8-dioxododecanedioic acid > -2.58 > -8.78251073794693 > -3.44 > 1 > 3 > -1 > 1.6869285890611083 > 1.100699976350508 > 9.014669270159272 > 591.1499999999999 > 252.39229999999998 > 34 > 0 > 3.93e-01 g/l > (2S,7R,11S)-2,11-diamino-6-[(4S)-4-amino-4-carboxybutanoyl]-7-{N-[(4S)-4-amino-4-carboxybutanoyl]-1-(4-{[(2-amino-4-oxo-1H-pteridin-6-yl)methyl]amino}phenyl)formamido}-7-({[(4S)-4-amino-4-carboxybutanoyl]oxy}carbonyl)-6-(carboxymethyl)-5,8-dioxododecanedioic acid > 0 > BMDB0006563 > Hexaglutamyl folate > Hexaglutamate folate; N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-g-glutamyl-L-g-glutamyl-L-g-glutamyl-L-g-glutamyl-L-g-glutamyl-L-Glutamic acid; N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamyl-L-Glutamic acid; N-[N-[N-[N-[N-[N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-g-glutamyl]-L-g-glutamyl]-L-g-glutamyl]-L-g-glutamyl]-L-g-glutamyl]-L-Glutamic acid; N-[N-[N-[N-[N-[N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-gamma-glutamyl]-L-gamma-glutamyl]-L-gamma-glutamyl]-L-gamma-glutamyl]-L-gamma-glutamyl]-L-Glutamic acid; Pteglu6; Pteroyl-g-hexaglutamate; Pteroyl-gamma-hexaglutamate; Pteroylhexaglutamic acid $$$$