EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84195 - isomyristoyl-CoA(4−)

ChEBI IDCHEBI:84195
ChEBI Nameisomyristoyl-CoA(4−)
Stars
ASCII Nameisomyristoyl-CoA(4-)
DefinitionA long-chain fatty acyl-CoA(4−) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 12-methyltridecanoyl-CoA; major species at pH 7.3
Last Modified8 November 2021
Submitternhn
DownloadsMolfile
FormulaC35H58N7O17P3S
Net Charge-4
Average Mass973.870
Monoisotopic Mass973.28447
SMILESCC(C)CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C35H62N7O17P3S/c1-23(2)13-11-9-7-5-6-8-10-12-14-26(44)63-18-17-37-25(43)15-16-38-33(47)30(46)35(3,4)20-56-62(53,54)59-61(51,52)55-19-24-29(58-60(48,49)50)28(45)34(57-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,45-46H,5-20H2,1-4H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/t24-,28-,29-,30+,34-/m1/s1
InChIKeyAIBXWGHBFFDDCX-QSGBVPJFSA-J
ChEBI Ontology
Outgoing Relation(s)
isomyristoyl-CoA(4−) (CHEBI:84195) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
isomyristoyl-CoA(4−) (CHEBI:84195) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
isomyristoyl-CoA(4−) (CHEBI:84195) is conjugate base of isomyristoyl-CoA (CHEBI:85077)
Incoming Relation(s)
isomyristoyl-CoA (CHEBI:85077) is conjugate acid of isomyristoyl-CoA(4−) (CHEBI:84195)
Synonyms  Source
12-methyltridecanoyl-coenzyme A(4−)ChEBI
isotetradecanoyl-coenzyme A(4−)ChEBI
isotetradecanoyl-CoA(4−)ChEBI
isomyristoyl-coenzyme A(4−)ChEBI
12-methyltridecanoyl-CoA(4−)ChEBI
UniProt Name  Source
12-methyltridecanoyl-CoAUniProt
Citations