OntologieschebiclassesCHEBI:57375   
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lauroyl-CoA(4-)
http://purl.obolibrary.org/obo/CHEBI_57375

An acyl-CoA(4-) arising from deprotonation of phosphate and diphosphate functions of lauroyl-CoA; major species at pH 7.3.

Also appears inslmgo
Exact Synonyms
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(dodecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)
Related Synonyms
dodecanoyl-CoA(4-)
dodecanoyl-CoA
dodecanoyl-coenzyme A(4-)
lauroyl-CoA tetraanion
lauroyl-coenzyme A(4-)
class Information
charge

-4

formula

C33H54N7O17P3S

has_dbxref

MetaCyc:LAUROYLCOA-CPD

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/t22-,26-,27-,28+,32-/m1/s1

inchikey

YMCXGHLSVALICC-GMHMEAMDSA-J

in_subset

3_STAR

mass

945.80500

monoisotopicmass

945.25317

smiles

CCCCCCCCCCCC(=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

class Relations