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CHEBI:175415 - Mytilin B

ChEBI IDCHEBI:175415
ChEBI NameMytilin B
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SubmitterMetaboLights
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FormulaC14H22N2O8
Net Charge0
Average Mass346.336
Monoisotopic Mass346.13762
SMILESCOC1=C(NCC(=O)O)CC(O)(CO)C/C1=N\[C@@H](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-REBYCPFISA-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)
Mytilin B (CHEBI:175415) is a α-amino acid (CHEBI:33704)
IUPAC Name 
(2R,3S)-2-[[3-(carboxymethylamino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]amino]-3-hydroxybutanoic acid