CHEBI:5518 - Gomphrenin-I

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ChEBI Name Gomphrenin-I
ChEBI ID CHEBI:5518
Stars This entity has been manually annotated by a third party.
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Formula C24H26N2O13
Net Charge 0
Average Mass 550.470
Monoisotopic Mass 550.14349
InChI InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1
InChIKey YUDKHXMQDKVDGU-FMOSSLLZSA-N
SMILES OC[C@H]1O[C@@H](Oc2cc3c(C[C@@H](C([O-])=O)\[N+]3=C/C=C3C[C@H](NC(=C\3)C(O)=O)C(O)=O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Gomphrenin-I (CHEBI:5518) is a indolyl carboxylic acid (CHEBI:46867)
Synonym Source
Gomphrenin-I KEGG COMPOUND
Manual Xrefs Databases
C00001588 KNApSAcK
C08544 KEGG COMPOUND
View more database links
Registry Number Type Source
17008-59-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014