(Q27109797)

cobamic acid (English)

retrieved

5 October 2016

isomeric SMILES

C/C/1=C/2\[C@@]([C@@H](C(=N2)/C=C\3/C([C@@H](C(=N3)/C(=C\4/[C@]([C@H]([C@@H]([N-]4)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)O)(C)CC(=O)O)C)CC(=O)O)(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@@H]6[C@H](O[C@@H]([C@@H]6O)O)CO)/C)CCC(=O)O)(C)C)CCC(=O)O)(C)CC(=O)O.[Co+2]

1 reference

InChI=1S/C53H76N5O21P.Co/c1-24(78-80(75,76)79-44-32(23-59)77-48(74)43(44)73)22-54-34(60)16-17-50(6)30(18-38(67)68)47-53(9)52(8,21-40(71)72)29(12-15-37(65)66)42(58-53)26(3)46-51(7,20-39(69)70)27(10-13-35(61)62)31(55-46)19-33-49(4,5)28(11-14-36(63)64)41(56-33)25(2)45(50)57-47;/h19,24,27-30,32,43-44,47-48,59,73-74H,10-18,20-23H2,1-9H3,(H9,54,55,56,57,58,60,61,62,63,64,65,66,67,68,69,70,71,72,75,76);/q;+2/p-2/t24-,27-,28-,29-,30+,32-,43-,44-,47-,48+,50-,51+,52+,53+;/m1./s1

cobamic acid (English)

retrieved

5 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

ZDTDRRBOAWVNMK-NHIUFCJESA-L

2 references

cobamic acid (English)

retrieved

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

cobaltous;[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-7,12,17-tris(2-carboxyethyl)-2,13,18-tris(carboxymethyl)- (English)

5 October 2016

1 reference

[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-7,12,17-tris(2-carboxyethyl)-2,13,18-tris(carboxymethyl)-3-[3-[[(2R)-2-[[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-oxido-phosph (English)

5 October 2016

1 reference