(3S)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:15454)

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CHEBI:15454 - (3S)-3-carboxy-3-hydroxypropanoyl-CoA

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ChEBI ID	CHEBI:15454
ChEBI Name	(3S)-3-carboxy-3-hydroxypropanoyl-CoA
Stars
ASCII Name	(3S)-3-carboxy-3-hydroxypropanoyl-CoA
Definition	A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 3-carboxy group of (3S)-3-carboxy-3-hydroxypropanoic acid.
Secondary ChEBI IDs	CHEBI:207, CHEBI:10886, CHEBI:14572, CHEBI:18565
Last Modified	3 August 2014
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C25H40N7O20P3S
Net Charge	0
Average Mass	883.613
Monoisotopic Mass	883.12617
SMILES	CC(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)C[C@H](O)C(=O)O
InChI	InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t12-,13+,17+,18+,19-,23+/m0/s1
InChIKey	HJQWLHMLMCDAEL-ZTGLTYRUSA-N

Roles Classification

acyl donor Any donor that can transfer acyl groups between molecular entities.

ChEBI Ontology

Outgoing Relation(s)
	(3S)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:15454) has functional parent (S)-malic acid (CHEBI:30797)
	(3S)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:15454) has functional parent butyryl-CoA (CHEBI:15517)
	(3S)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:15454) is a (S)-3-hydroxyacyl-CoA (CHEBI:15455)
	(3S)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:15454) is conjugate acid of (3S)-3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:57317)
Incoming Relation(s)
Incoming Relation(s)	(3S)-3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:57317) is conjugate base of (3S)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:15454)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3-carboxy-3-hydroxypropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

Synonyms	Source
(3S)-3-Carboxy-3-hydroxypropanoyl-CoA	KEGG COMPOUND
(3S)-3-Carboxy-3-hydroxypropionyl-CoA	KEGG COMPOUND
L-Malyl-CoA	KEGG COMPOUND
Malyl-CoA	KEGG COMPOUND
(3S)-3-carboxy-3-hydroxypropanoyl-coenzyme A	ChEBI
(3S)-3-carboxy-3-hydroxypropionyl-coenzyme A	ChEBI

Manual Xrefs	Databases
C04348	KEGG COMPOUND

Citations