MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(R)-trihomocitrate

	Properties	Image
MNX_ID	MNXM4856
reference	chebi:72699
formula	C₉H₁₁O₇
global charge	-3
mol weight	231.18
InChIKey	YNPKOQYWJZNZGP-SECBINFHSA-K
InChI	InChI=1S/C9H14O7/c10-6(11)3-1-2-4-9(16,8(14)15)5-7(12)13/h16H,1-5H2,(H,10,11)(H,12,13)(H,14,15)/p-3/t9-/m1/s1
SMILES	O=C([O-])CCCC[C@@](O)(CC(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C9H14O7/c10-6(11)3-1-2-4-9(16,8(14)15)5-7(12)13/h16H,1-5H2,(H,10,11)(H,12,13)(H,14,15)/t9-/m1/s1
SMILES (mnx)	[CH2:1]([CH2:2][CH2:4][C@@:9]([CH2:5][C:7](=[O:12])[OH:13])([C:8](=[O:14])[OH:15])[OH:16])[CH2:3][C:6](=[O:10])[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72699 chebi:72699 YNPKOQYWJZNZGP-SECBINFHSA-K	(R)-trihomocitrate (2R)-(homo)3citrate(3-) (2R)-2-hydroxy-1,2,6-hexanetricarboxylate (2R)-trihomocitrate(3-) (R)-trihomocitrate(3-)
CHEBI:72698 chebi:72698 YNPKOQYWJZNZGP-SECBINFHSA-N	(2R)-trihomocitric acid (2R)-(homo)3citric acid (2R)-2-hydroxy-1,2,6-hexanetricarboxylic acid (R)-2-Hydroxy-1,2,6-hexanetricarboxylic acid (R)-trihomocitric acid
kegg.compound:C16598 keggC:C16598 YNPKOQYWJZNZGP-SECBINFHSA-N	(R)-(Homo)3-citrate (R)-2-Hydroxy-1,2,6-hexanetricarboxylate (R)-2-Hydroxy-1,2,6-hexanetricarboxylic acid
bigg.metabolite:Rh3cit biggM:Rh3cit	(R)-(homo)3citrate
seed.compound:cpd15832 seedM:cpd15832 YNPKOQYWJZNZGP-SECBINFHSA-K	(R)-(homo)3citrate (R)-(Homo)3-citrate (R)-2-Hydroxy-1,2,6-hexanetricarboxylate (R)-2-Hydroxy-1,2,6-hexanetricarboxylic acid (R)-2-hydroxy-1,2,6-hexanetricarboxylate (R)-2-hydroxy-1,2,6-hexanetricarboxylic acid Rh3cit trihomocitrate
metacyc.compound:CPD-301 metacycM:CPD-301 YNPKOQYWJZNZGP-SECBINFHSA-K	trihomocitrate (R)-(homo)3citrate (R)-2-hydroxy-1,2,6-hexanetricarboxylate (R)-2-hydroxy-1,2,6-hexanetricarboxylic acid
chebi:133913 biggM:M_Rh3cit keggC:M_C16598 seedM:M_cpd15832	secondary/obsolete/fantasy identifier