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CHEBI:181962 - (E,2S,3R,4R,5S)-4-Acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid

ChEBI IDCHEBI:181962
ChEBI Name(E,2S,3R,4R,5S)-4-Acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H41NO7
Net Charge0
Average Mass431.570
Monoisotopic Mass431.28830
SMILESCCCCCCC(O)CCCCCC/C=C/[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21(30-16(2)24)20(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17?,18-,19-,20+,21+/m0/s1
InChIKeyOOEOVXMORBPOKC-LNBSYBDWSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E,2S,3R,4R,5S)-4-Acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid (CHEBI:181962) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid
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