Mrv1652310011601252D 82 85 0 0 1 0 999 V2000 -1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 9.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 10.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 5.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 11.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 10.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 5.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 8.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 6.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 9.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 8.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 11.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 6.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 11.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 6.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 9 2 1 4 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 1 0 0 0 13 6 1 1 0 0 0 14 7 1 1 0 0 0 16 8 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 25 10 1 0 0 0 0 26 11 1 0 0 0 0 26 25 1 0 0 0 0 27 15 1 0 0 0 0 27 18 1 0 0 0 0 28 19 1 0 0 0 0 28 24 1 0 0 0 0 29 15 1 0 0 0 0 30 22 1 0 0 0 0 31 23 1 0 0 0 0 32 24 1 0 0 0 0 33 9 2 0 0 0 0 15 33 1 6 0 0 0 34 3 2 0 0 0 0 35 4 1 0 0 0 0 36 5 1 0 0 0 0 37 6 1 0 0 0 0 38 7 1 0 0 0 0 39 9 1 0 0 0 0 10 40 1 1 0 0 0 11 41 1 1 0 0 0 16 42 1 1 0 0 0 17 43 1 6 0 0 0 18 44 1 6 0 0 0 19 45 1 1 0 0 0 20 46 1 6 0 0 0 21 47 1 1 0 0 0 22 48 1 1 0 0 0 23 49 1 6 0 0 0 24 50 1 6 0 0 0 51 8 1 0 0 0 0 51 30 1 0 0 0 0 52 13 1 0 0 0 0 52 29 1 0 0 0 0 53 12 1 0 0 0 0 53 31 1 0 0 0 0 54 14 1 0 0 0 0 54 32 1 0 0 0 0 25 55 1 6 0 0 0 30 55 1 1 0 0 0 26 56 1 1 0 0 0 32 56 1 1 0 0 0 27 57 1 1 0 0 0 31 57 1 6 0 0 0 28 58 1 6 0 0 0 29 58 1 6 0 0 0 8 59 1 1 0 0 0 10 60 1 1 0 0 0 11 61 1 1 0 0 0 12 62 1 6 0 0 0 13 63 1 6 0 0 0 14 64 1 6 0 0 0 15 65 1 1 0 0 0 16 66 1 6 0 0 0 17 67 1 1 0 0 0 18 68 1 1 0 0 0 19 69 1 6 0 0 0 20 70 1 6 0 0 0 21 71 1 1 0 0 0 22 72 1 6 0 0 0 23 73 1 1 0 0 0 24 74 1 1 0 0 0 25 75 1 6 0 0 0 26 76 1 1 0 0 0 27 77 1 1 0 0 0 28 78 1 6 0 0 0 29 79 1 1 0 0 0 30 80 1 6 0 0 0 31 81 1 1 0 0 0 32 82 1 6 0 0 0 M END > BMDB0006706 > bmdb > [H][C@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O)[C@@]3([H])O)[C@@]2([H])N=C(C)O)[C@@]1([H])O)[C@@]([H])(O[C@]1([H])O[C@@]([H])(C)[C@]([H])(O)[C@]([H])(O)[C@]1([H])O)[C@@]([H])(O)C=O > InChI=1S/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)55-25(10(40)3-34)26(11(41)4-35)56-32-24(50)28(19(45)14(7-38)54-32)58-29-15(33-9(2)39)27(18(44)13(6-37)52-29)57-31-23(49)21(47)17(43)12(5-36)53-31/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10-,11-,12+,13+,14+,15+,16-,17+,18+,19-,20-,21+,22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-/m0/s1 > TVVLIFCVJJSLBL-ALBZBJDESA-N > C32H55NO25 > 853.774 > 853.306316275 > 26 > 113 > 80.76263393404746 > 0 > 16 > 0 > 0 > N-[(2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acid > -2.37 > -9.073224245666665 > -0.59 > 1 > 4 > 0 > 11.720598698219565 > 5.48393555814865 > -3.655233549153582 > 426.95000000000016 > 177.0781000000001 > 17 > 0 > 2.20e+02 g/l > lacto-N-fucopentaose V > 0 > BMDB0006706 > Lacto-N-fucopentaose V > Lacto-N-fucopentaose V; LNFP V; O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-beta-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-D-Glucose; O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-beta-delta-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-beta-delta-galactopyranosyl-(1->4)]-delta-Glucose $$$$