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CHEBI:58528 - 3-hydroxypropanoyl-CoA(4−)

ChEBI IDCHEBI:58528
ChEBI Name3-hydroxypropanoyl-CoA(4−)
Stars
ASCII Name3-hydroxypropanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate groups of 3-hydroxypropanoyl-CoA.
Last Modified20 August 2015
DownloadsMolfile
FormulaC24H36N7O18P3S
Net Charge-4
Average Mass835.572
Monoisotopic Mass835.10723
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCO
InChIInChI=1S/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/p-4/t13-,17-,18-,19+,23-/m1/s1
InChIKeyBERBFZCUSMQABM-IEXPHMLFSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-hydroxypropanoyl-CoA(4−) (CHEBI:58528) has role human metabolite (CHEBI:77746)
3-hydroxypropanoyl-CoA(4−) (CHEBI:58528) is a acyl-CoA(4−) (CHEBI:58342)
3-hydroxypropanoyl-CoA(4−) (CHEBI:58528) is conjugate base of 3-hydroxypropanoyl-CoA (CHEBI:27762)
Incoming Relation(s)
3-hydroxypropanoyl-CoA (CHEBI:27762) is conjugate acid of 3-hydroxypropanoyl-CoA(4−) (CHEBI:58528)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
UniProt Name  Source
3-hydroxypropanoyl-CoAUniProt