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CHEBI:181740 - SCHEMBL21397201

ChEBI IDCHEBI:181740
ChEBI NameSCHEMBL21397201
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FormulaC23H31NO5
Net Charge0
Average Mass401.503
Monoisotopic Mass401.22022
SMILESCC1=CCCC2C1(C)CCC(C)C2(C)CC1=C(O)C(NCC(=O)O)=CC(=O)C1=O
InChIInChI=1S/C23H31NO5/c1-13-6-5-7-18-22(13,3)9-8-14(2)23(18,4)11-15-20(28)16(24-12-19(26)27)10-17(25)21(15)29/h6,10,14,18,24,28H,5,7-9,11-12H2,1-4H3,(H,26,27)
InChIKeyWDMPTRNBGBEFTI-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
SCHEMBL21397201 (CHEBI:181740) is a α-amino acid (CHEBI:33704)
IUPAC Name 
2-[[5-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-6-hydroxy-3,4-dioxocyclohexa-1,5-dien-1-yl]amino]acetic acid