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coenzyme B12

Image of MNXM91529
Properties
MNX_IDMNXM91529
formulaC72H100N18O17PCo
charge0
mass1579.5818
referencemetacyc:ADENOSYLCOBALAMIN
InChIInChI=1S/C62H90N13O14P.C10H12N5O3.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;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/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);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56+,57-,59-,60-,61-,62-;4-,6-,7-,10-;/m01./s1
SMILESC[C@]12[C@H]([C@H]3N4C1=C(C1=[N+]5C(=CC6=[N+]7[Co-3]45([N+]4=CN(C5=CC(C)=C(C)C=C45)[C@H]4O[C@H](CO)[C@@H](OP([O-])(O[C@H](CNC(=O)CC2)C)=O)[C@H]4O)([N+]2=C([C@H]([C@](C)(CC(=O)N)[C@]32C)CCC(=O)N)C(C)=C7[C@](C)([C@@H]6CCC(=O)N)CC(=O)N)C[C@@H]2[C@@H](O)[C@@H](O)[C@H](N3C4=NC=NC(N)=C4N=C3)O2)C([C@@H]1CCC(=O)N)(C)C)C)CC(N)=O

This chemical compound does not exist in my selection



Occurrences of coenzyme B12 in the MetaNetX repository

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Similar chemical compounds in external resources
ResourceIdentifier
chebichebi:3797
chebi:13739
chebi:18408
chebi:23340
keggkegg:C00194
kegg:D00042
metacycmetacyc:ADENOSYLCOBALAMIN
upaupa:UPC00194
seedseed:cpd00166
biggbigg:adocbl
biopathbiopath:5-prime-Deoxyadenosylcobalamin(coenzyme_B12,Co+)
hmdbhmdb:HMDB02086
reactomereactome:3159297