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stearoyl-CoA

Go to external page http://purl.obolibrary.org/obo/CHEBI_15541

A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of stearic acid.

Term info

Label

stearoyl-CoA

Synonyms
  • 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
  • Stearoyl-CoA
database cross reference
Subsets

3_STAR

IUPAC NAME
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) [ IUPAC ]

charge

0

formula

C39H70N7O17P3S

has alternative id

CHEBI:26754, CHEBI:9256, CHEBI:15107

has obo namespace

chebi_ontology

has related synonym

S-stearoylcoenzyme A, octadecanoyl-coenzyme A, Stearyl coenzyme A, octadecanoyl-CoA, Stearyl-CoA, C18:0-CoA, C18:0-coenzyme A, S-stearoyl-CoA, stearoyl-coenzyme A

id

CHEBI:15541

inchi

InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34+,38-/m1/s1

inchikey

SIARJEKBADXQJG-LFZQUHGESA-N

mass

1033.99736

monoisotopicmass

1033.37618

smiles

CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12