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cob(II)alamin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104738

	#reac
in my sandbox	0
in MNXref (generic)	36
in models (compartimentalized)	11

formula

C₆₂H₈₈CoN₁₃O₁₄P

charge

mass

1328.56433

reference

chebi:16304

InChIKey

ASARMUCNOOHMLO-DSRCUDDDSA-L

InChI

InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1

SMILES

CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7[C@@H]8[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)n6c[n+](c9cc(C)c(C)cc96)[Co-3]753[N+]3=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]83C)[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-3149479 reactomeM:R-ALL-3149479 reactome:R-ALL-3149564 reactomeM:R-ALL-3149564 CHEBI:16304 chebi:16304	cob(II)alamin Cob(II)alamin Vitamin B12r vitamin B-12r
bigg.metabolite:cbl2 biggM:cbl2	Cob II alamin
hmdb:HMDB0006316	Cob(II)alamin (10S,12R,13S,17R,23R,24R,25R,30S,35S,36S,40S,41S,42R,46R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-15,46-dihydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2lambda4,9,19,26,43lambda4,44lambda4,45lambda4-heptaaza-15lambda5-phospha-1-cobaltadodecacyclo[27.14.1.1^{1,34}.1^{2,9}.1^{10,13}.0^{1,26}.0^{3,8}.0^{23,27}.0^{25,42}.0^{32,44}.0^{39,43}.0^{37,45}]heptatetraconta-2(47),3,5,7,27,29(44),32,34(45),37,39(43)-decaene-1,1-bis(ylium) B12r Co(I)-cobalamine Cob(2)alamin Cobinamide-co(1+) Reduced vitamin B12 Vitamin b12R
sabiork.compound:2084 sabiorkM:2084 kegg.compound:C00541 keggC:C00541	Cob(II)alamin Vitamin B12r
seed.compound:cpd00423 seedM:cpd00423	Vitamin B12r B12r Cob(II)alamin cbl cbl2 cob(II) alamin cob(II)alamin vitamin B12 vitamin B12r
metacyc.compound:CPD-1829 metacycM:CPD-1829	cob(II)alamin B12r cobalamin
hmdb:HMDB06316 chebi:14005 chebi:23330 chebi:3786 biggM:M_cbl2 keggC:M_C00541 seedM:M_cpd00423	secondary/obsolete/fantasy identifier