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(2R,3S)-iso(homo)3citrate

MNXM114434 is deprecated and here replaced by MNXM726967
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726967 Image of MNXM726967
referencechebi:177881
formulaC9H11O7
global charge-3
mol weight231.18
InChIKeyNLOCBSDWTSPKMJ-CAHLUQPWSA-K
InChIInChI=1S/C9H14O7/c10-6(11)4-2-1-3-5(8(13)14)7(12)9(15)16/h5,7,12H,1-4H2,(H,10,11)(H,13,14)(H,15,16)/p-3/t5-,7+/m0/s1
SMILESO=C([O-])CCCC[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C9H14O7/c10-6(11)4-2-1-3-5(8(13)14)7(12)9(15)16/h5,7,12H,1-4H2,(H,10,11)(H,13,14)(H,15,16)/t5-,7+/m0/s1 Image of MNXM726967
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][C:6](=[O:10])[OH:11])[CH2:3][C@@H:5]([C@H:7]([C:9](=[O:15])[OH:16])[OH:12])[C:8](=[O:13])[OH:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:177881
chebi:177881
NLOCBSDWTSPKMJ-CAHLUQPWSA-K 		(2R,3S)-iso(homo)3citrate
(-)-threo-isotrihomocitrate(3-)
(2R,3S)-isotrihomocitrate

kegg.compound:C16600
keggC:C16600
NLOCBSDWTSPKMJ-CAHLUQPWSA-N 		(-)-threo-Iso(homo)3-citrate
(-)-threo-1-Hydroxy-1,2,6-hexanetricarboxylic acid
1-Hydroxyhexane-1,2,6-tricarboxylate
threo-(Homo)3-isocitrate

seed.compound:cpd15909
seedM:cpd15909
NLOCBSDWTSPKMJ-CAHLUQPWSA-K 		(-)threo-iso(homo)3citrate
(-)-threo-1-Hydroxy-1,2,6-hexanetricarboxylic acid
(-)-threo-Iso(homo)3-citrate
(-)threo-1-hydroxy-1,2,6-hexanetricarboxylate
(-)threo-1-hydroxy-1,2,6-hexanetricarboxylic acid
1-Hydroxyhexane-1,2,6-tricarboxylate
threo-(Homo)3-isocitrate
tih3cit

metacyc.compound:CPD-336
metacycM:CPD-336
NLOCBSDWTSPKMJ-CAHLUQPWSA-K 		(-)threo-iso(homo)3citrate
(-)threo-1-hydroxy-1,2,6-hexanetricarboxylate
(-)threo-1-hydroxy-1,2,6-hexanetricarboxylic acid
(1R,2S)-1-hydroxyhexane-1,2,6-tricarboxylate

CHEBI:80595
chebi:80595
NLOCBSDWTSPKMJ-CAHLUQPWSA-N 		1-Hydroxyhexane-1,2,6-tricarboxylate

keggC:M_C16600
seedM:M_cpd15909 		secondary/obsolete/fantasy identifier