CHEBI:76386 - triacontanoyl-CoA(4−)

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ChEBI Name triacontanoyl-CoA(4−)
ChEBI ID CHEBI:76386
ChEBI ASCII Name triacontanoyl-CoA(4-)
Definition A saturated fatty acyl CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of triacontanoyl-CoA (melissoyl-CoA); major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C51H90N7O17P3S
Net Charge -4
Average Mass 1198.28300
Monoisotopic Mass 1197.53487
InChI InChI=1S/C51H94N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-42(60)79-35-34-53-41(59)32-33-54-49(63)46(62)51(2,3)37-72-78(69,70)75-77(67,68)71-36-40-45(74-76(64,65)66)44(61)50(73-40)58-39-57-43-47(52)55-38-56-48(43)58/h38-40,44-46,50,61-62H,4-37H2,1-3H3,(H,53,59)(H,54,63)(H,67,68)(H,69,70)(H2,52,55,56)(H2,64,65,66)/p-4/t40-,44-,45-,46+,50-/m1/s1
InChIKey QKSUSCCLLRTYKE-XFQHPCEUSA-J
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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
ChEBI Ontology
Outgoing triacontanoyl-CoA(4−) (CHEBI:76386) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
triacontanoyl-CoA(4−) (CHEBI:76386) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
triacontanoyl-CoA(4−) (CHEBI:76386) is a ultra-long-chain fatty acyl-CoA(4−) (CHEBI:143018)
triacontanoyl-CoA(4−) (CHEBI:76386) is conjugate base of triacontanoyl-CoA (CHEBI:76500)
Incoming triacontanoyl-CoA (CHEBI:76500) is conjugate acid of triacontanoyl-CoA(4−) (CHEBI:76386)
IUPAC Name
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(triacontanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate)
Synonyms Sources
C30:0-CoA(4−) SUBMITTER
melissoyl-CoA(4−) SUBMITTER
melissoyl-coenzyme A(4−) ChEBI
triacontanoyl-CoA UniProt
triacontanoyl-coenzyme A(4−) ChEBI
Last Modified
06 February 2019