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Details

Stereochemistry ABSOLUTE
Molecular Formula C62H88N13O14P.Co
Molecular Weight 1329.3478
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COBALAMIN

SMILES

[Co++].[H][C@]12[N-]C(=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C@]1(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)[C@](C)(CCC(=O)NC[C@H](C)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)N7C=NC8=C7C=C(C)C(C)=C8)[C@H]2CC(N)=O

InChI

InChIKey=ASARMUCNOOHMLO-WLORSUFZSA-L
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-;/m0./s1

HIDE SMILES / InChI

Molecular Formula Co
Molecular Weight 58.9332
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C62H88N13O14P
Molecular Weight 1270.4146
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:56:43 UTC 2023
Edited
by admin
on Fri Dec 15 15:56:43 UTC 2023
Record UNII
8406EY2OQA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COBALAMIN
VANDF  
Common Name English
COBALAMIN [VANDF]
Common Name English
Classification Tree Code System Code
LOINC 15039-1
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
LOINC 26916-7
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
LOINC 2132-9
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
LOINC 16695-9
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
LOINC 55850-2
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
LOINC 14685-2
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
LOINC 35201-3
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
LIVERTOX NBK548710
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
Code System Code Type Description
EVMPD
SUB32920
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
FDA UNII
8406EY2OQA
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
NCI_THESAURUS
C939
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
SMS_ID
100000125988
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
DRUG BANK
DB14098
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
CAS
13408-78-1
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
CHEBI
30411
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
RXCUI
42604
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID101045573
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
DRUG CENTRAL
4603
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
DAILYMED
8406EY2OQA
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
ECHA (EC/EINECS)
236-500-2
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
PUBCHEM
73415824
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY