CHEBI:76386 - triacontanoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 laimo
Supplier Information No supplier information found for this compound.
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