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(indol-3-yl)acetyl-L-aspartate

PropertiesImage
MNX_IDMNXM8730 Image of MNXM8730
referencechebi:133482
formulaC14H12N2O5
global charge-2
mol weight288.259
InChIKeyVAFNMNRKDDAKRM-NSHDSACASA-L
InChIInChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t11-/m0/s1
SMILESO=C([O-])C[C@H](NC(=O)CC1=CNC2=CC=CC=C12)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1 Image of MNXM8730
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[C:8]([CH2:5][C:12](=[N:16][C@@H:11]([CH2:6][C:13](=[O:18])[OH:19])[C:14](=[O:20])[OH:21])[OH:17])=[CH:7][NH:15]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133482
chebi:133482
VAFNMNRKDDAKRM-NSHDSACASA-L 		(indol-3-yl)acetyl-L-aspartate
(2S)-2-[2-(1H-indol-3-yl)acetamido]butanedioate
N-(indole-3-acetyl)-L-aspartate(2-)
N-(indole-3-acetyl)aspartate(2-)
indole-3-acetyl-aspartate
indole-3-acetyl-aspartate(2-)
indole-3-acetylaspartate

kegg.compound:C22224
keggC:C22224
VAFNMNRKDDAKRM-NSHDSACASA-N 		(Indol-3-yl)acetyl-L-aspartate

metacyc.compound:INDOLE-3-ACETYL-ASP
metacycM:INDOLE-3-ACETYL-ASP
VAFNMNRKDDAKRM-NSHDSACASA-L 		(indol-3-yl)acetyl-L-aspartate
IAA-Asp
indole-3-acetyl-Asp
indole-3-acetyl-aspartic acid

seed.compound:cpd27275
seedM:cpd27275
VAFNMNRKDDAKRM-NSHDSACASA-L 		IAA-Asp
indole-3-acetyl-Asp
indole-3-acetyl-L-aspartate
indole-3-acetyl-aspartate
indole-3-acetyl-aspartic acid

CHEBI:21484
chebi:21484
VAFNMNRKDDAKRM-NSHDSACASA-N 		N-(indole-3-acetyl)-L-aspartic acid
(Indole-3-acetyl)aspartic acid
(Indoleacetyl)aspartic acid
3-Indolylacetyl-L-aspartic acid
IAA-Asp
IAASP
Indole-3-acetyl-L-aspartic acid
N-(indol-3-ylacetyl)-L-aspartic acid
N-(indol-3-ylacetyl)aspartic acid
N-(indole-3-acetyl)aspartic acid
N-[(1H-indol-3-yl)acetyl]-L-aspartic acid
indole-3-acetyl-Asp
indole-3-acetyl-aspartic acid

keggC:M_C22224
seedM:M_cpd27275 		secondary/obsolete/fantasy identifier