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(S)-malate

	Properties	Image
MNX_ID	MNXM1107192
reference	chebi:15589
formula	C₄H₄O₅
global charge	-2
mol weight	132.071
InChIKey	BJEPYKJPYRNKOW-REOHCLBHSA-L
InChI	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1
SMILES	O=C([O-])C[C@H](O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:2]([C:4](=[O:8])[OH:9])[OH:5])[C:3](=[O:6])[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	105
in models (compartimentalized)	83

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-113544 reactomeM:R-ALL-113544 reactome:R-ALL-198498 reactomeM:R-ALL-198498 CHEBI:15589 chebi:15589 BJEPYKJPYRNKOW-REOHCLBHSA-L	(S)-malate (2S)-2-hydroxybutanedioate (S)-malate(2-) L-malate
metacyc.compound:RS-Malate metacycM:RS-Malate BJEPYKJPYRNKOW-UHFFFAOYSA-L	(RS)-malate (RS)-malic acid 2-hydroxybutanedioate DL-apple acid DL-malate DL-malic acid hydroxybutanedioic acid hydroxysuccinic acid malate malic acid
kegg.compound:C00149 keggC:C00149 BJEPYKJPYRNKOW-REOHCLBHSA-N	(S)-Malate L-2-Hydroxybutanedioic acid L-Apple acid L-Malate L-Malic acid Malate Malic acid
SLM:000598036 slm:000598036 BJEPYKJPYRNKOW-REOHCLBHSA-L	(S)-malate
metacyc.compound:MAL metacycM:MAL BJEPYKJPYRNKOW-REOHCLBHSA-L	(S)-malate (S)-malic acid L-apple acid L-hydroxybutanedioic acid L-hydroxysuccinic acid L-malate L-malic acid
CHEBI:30797 chebi:30797 BJEPYKJPYRNKOW-REOHCLBHSA-N	(S)-malic acid (-)-L-malic acid (2S)-2-hydroxybutanedioic acid (S)-(-)-Hydroxysuccinic acid L-2-Hydroxybutanedioic acid L-Apple acid L-Malic acid L-malic acid Malate Malic acid S-2-Hydroxybutanedioic acid
seed.compound:cpd30742 seedM:cpd30742 BJEPYKJPYRNKOW-UHFFFAOYSA-L	2-Hydroxybutanedioic acid
bigg.metabolite:mal__L biggM:mal__L	L-Malate
seed.compound:cpd00130 seedM:cpd00130 BJEPYKJPYRNKOW-REOHCLBHSA-L	L-Malate (S)-Malate (S)-malate (S)-malic acid L-2-Hydroxybutanedioic acid L-Apple acid L-Malic acid L-apple acid L-hydroxybutanedioic acid L-hydroxysuccinic acid L-mal L-malate L-malic acid MALA Malate Malic acid hydroxybutanedioic acid hydroxysuccinic acid mal mal-L malate malic acid
sabiork.compound:1918 sabiorkM:1918 BJEPYKJPYRNKOW-REOHCLBHSA-N	L-Malate (S)-Malate L-2-Hydroxybutanedioic acid L-Apple acid L-Malic acid
vmhM:mal_L vmhmetabolite:mal_L BJEPYKJPYRNKOW-REOHCLBHSA-L	L-malate (2S)-2-hydroxybutanedioic acid
sabiork.compound:2138 sabiorkM:2138 kegg.compound:C00711 keggC:C00711 BJEPYKJPYRNKOW-UHFFFAOYSA-N	Malate 2-Hydroxybutanedioic acid Malic acid
kegg.drug:D04843 keggD:D04843 BJEPYKJPYRNKOW-UHFFFAOYSA-N	Malic acid (NF) Malate
hmdb:HMDB0000156 BJEPYKJPYRNKOW-REOHCLBHSA-N	Malic acid (-)-(S)-Malate (-)-(S)-Malic acid (-)-Hydroxysuccinate (-)-Hydroxysuccinic acid (-)-L-Malate (-)-L-Malic acid (-)-Malic acid (-)-malic acid (2S)-2-Hydroxybutanedioate (2S)-2-Hydroxybutanedioic acid (2S)-2-Hydroxysuccinic acid (2S)-2-hydroxybutanedioic acid (2S)-Malic acid (S)-(-)-Hydroxysuccinate (S)-(-)-Hydroxysuccinic acid (S)-2-Hydroxysuccinic acid (S)-Hydroxy-butanedioate (S)-Hydroxy-butanedioic acid (S)-Hydroxybutanedioate (S)-Hydroxybutanedioic acid (S)-Malate (S)-Malic acid 2-Hydroxybutanedioic acid 2-Hydroxyethane-1,2-dicarboxylic acid 2-Hydroxysuccinic acid Apple acid Deoxytetraric acid Hydroxybutanedioic acid Hydroxysuccinic acid L-(-)-Malic acid L-2-Hydroxybutanedioate L-2-Hydroxybutanedioic acid L-Apple acid L-Hydroxybutanedioate L-Hydroxybutanedioic acid L-Hydroxysuccinate L-Hydroxysuccinic acid L-Malate L-Malic acid Malate Monohydroxybutanedioic acid S-(-)-Malate S-(-)-Malic acid S-2-Hydroxybutanedioate S-2-Hydroxybutanedioic acid alpha-Hydroxysuccinic acid
envipath:...b48fb9b99b3e envipathM:...b48fb9b99b3e BJEPYKJPYRNKOW-UHFFFAOYSA-L	compound 0001333
envipath:...d87ac01bf576 envipathM:...d87ac01bf576 envipath:...1593e98910f4 envipathM:...1593e98910f4 BJEPYKJPYRNKOW-UHFFFAOYSA-L	compound 0042282
CHEBI:15595 chebi:15595 BJEPYKJPYRNKOW-UHFFFAOYSA-L	malate 2-hydroxybutanedioate hydroxybutanedioic acid, ion(2-) mal malate anion malate dianion malate(2-)
envipath:...2fab6c0b74ae envipathM:...2fab6c0b74ae envipath:...1a9f73b82dac envipathM:...1a9f73b82dac BJEPYKJPYRNKOW-UHFFFAOYSA-N	malic acid
CHEBI:6650 chebi:6650 BJEPYKJPYRNKOW-UHFFFAOYSA-N	malic acid 2-Hydroxybutanedioic acid 2-Hydroxyethane-1,2-dicarboxylic acid 2-Hydroxysuccinic acid 2-hydroxybutanedioic acid Aepfelsaeure DL-Malic acid E296 H2mal Malic acid alpha-hydroxysuccinic acid apple acid hydroxybutanedioic acid hydroxysuccinic acid
biggM:mal-L hmdb:HMDB0000744 hmdb:HMDB00156 hmdb:HMDB00744 chebi:11066 chebi:13140 chebi:14556 chebi:18784 chebi:18785 chebi:25114 chebi:423 biggM:M_mal__L keggC:M_C00149 keggC:M_C00711 keggD:M_D04843 seedM:M_cpd00130 seedM:M_cpd30742 vmhM:M_mal_L	secondary/obsolete/fantasy identifier