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    The database and ontology of Chemical Entities of Biological Interest

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porphyra-334 (CHEBI:35671)

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ChEBI Name porphyra-334
ChEBI ID CHEBI:35671
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
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Formula Source
C14H22N2O8 ChEBI
Net Charge 0
Average Mass 346.33316
InChI
InChI=1S/C14H22N2O8/c1-7(18)11(13(21)22)16-9-4-14(23,6-17)3-8(12(9)24-2)15-5-10(19)20/h7,11,15,17-18,23H,3-6H2,1-2H3,(H,19,20)(H,21,22)/b16-9-/t7-,11+,14?/m0/s1
InChIKey
VIZAVBQHHMQOQF-KKUJBODISA-N
SMILES
[H][C@@](\N=C1CC(O)(CO)CC(NCC(O)=O)=C\1OC)([C@H](C)O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing porphyra-334 (CHEBI:35671) is a ketimine (CHEBI:33272)
porphyra-334 (CHEBI:35671) is a mycosporine-like amino acid (CHEBI:35738)
IUPAC Name
(2R,3S)-2-{[(1Z)-3-[(carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]amino}-3-hydroxybutanoic acid
Last Modified
16 October 2007

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