Preferred Name

cob(II)alamin

Synonyms

Cob(II)alamin

vitamin B-12r

cob(II)alamin

Vitamin B12r

Definitions

A cobalamin in which the central cobalt atom has an oxidation state of +2.

ID

http://purl.obolibrary.org/obo/CHEBI_16304

charge

0

database_cross_reference

CAS:14463-33-3

KEGG:C00541

Gmelin:1243558

COMe:MOL000033

definition

A cobalamin in which the central cobalt atom has an oxidation state of +2.

formula

C62H88CoN13O14P

has role

http://purl.obolibrary.org/obo/CHEBI_23357

http://purl.obolibrary.org/obo/CHEBI_77746

has_alternative_id

CHEBI:3786

CHEBI:14005

CHEBI:23330

has_exact_synonym

Cob(II)alamin

cob(II)alamin

has_obo_namespace

chebi_ontology

has_related_synonym

vitamin B-12r

Vitamin B12r

id

CHEBI:16304

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

inchikey

ASARMUCNOOHMLO-DSRCUDDDSA-L

label

cob(II)alamin

mass

1329.34780

monoisotopicmass

1328.56433

notation

CHEBI:16304

prefLabel

cob(II)alamin

smiles

[H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O

treeView

http://purl.obolibrary.org/obo/CHEBI_30411

subClassOf

http://purl.obolibrary.org/obo/CHEBI_30411

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http://purl.bioontology.org/ontology/MESH/C097751 Medical Subject Headings / 医学主题词表 LOOM