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CHEBI:35671 - porphyra-334

ChEBI IDCHEBI:35671
ChEBI Nameporphyra-334
Stars
Last Modified8 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H22N2O8
Net Charge0
Average Mass346.336
Monoisotopic Mass346.13762
SMILES[H][C@](/N=C1/CC(O)(CO)CC(NCC(=O)O)=C1OC)(C(=O)O)[C@H](C)O
InChIInChI=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
InChIKeyVIZAVBQHHMQOQF-KKUJBODISA-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)
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