L-erythro-3-methylmalyl-CoA(5-) (CHEBI:75634)

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CHEBI:75634 - L-erythro-3-methylmalyl-CoA(5−)

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ChEBI ID	CHEBI:75634
ChEBI Name	L-erythro-3-methylmalyl-CoA(5−)
Stars
ASCII Name	L-erythro-3-methylmalyl-CoA(5-)
Definition	An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of L-erythro-3-methylmalyl-CoA.
Last Modified	3 September 2015
Submitter	KAX
Downloads	Molfile

Formula	C26H37N7O20P3S
Net Charge	-5
Average Mass	892.600
Monoisotopic Mass	892.10544
SMILES	C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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)[O-]
InChI	InChI=1S/C26H42N7O20P3S/c1-12(16(35)24(39)40)25(41)57-7-6-28-14(34)4-5-29-22(38)19(37)26(2,3)9-50-56(47,48)53-55(45,46)49-8-13-18(52-54(42,43)44)17(36)23(51-13)33-11-32-15-20(27)30-10-31-21(15)33/h10-13,16-19,23,35-37H,4-9H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/p-5/t12-,13+,16+,17+,18+,19-,23+/m0/s1
InChIKey	OTENCPQKSBPYCM-IGVLTWCCSA-I

ChEBI Ontology

Outgoing Relation(s)
	L-erythro-3-methylmalyl-CoA(5−) (CHEBI:75634) is a acyl-CoA oxoanion (CHEBI:58946)
	L-erythro-3-methylmalyl-CoA(5−) (CHEBI:75634) is conjugate base of L-erythro-3-methylmalyl-CoA (CHEBI:27855)
Incoming Relation(s)
	L-erythro-3-methylmalyl-CoA (CHEBI:27855) is conjugate acid of L-erythro-3-methylmalyl-CoA(5−) (CHEBI:75634)

Synonym	Source
L-erythro-3-methylmalyl-coenzyme A	ChEBI

UniProt Name	Source
(2R,3S)-β-methylmalyl-CoA	UniProt

Manual Xrefs	Databases
CPD-9409	MetaCyc

Citations