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CHEBI:218052 - Janthinopolyenemycin A

ChEBI IDCHEBI:218052
ChEBI NameJanthinopolyenemycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O3
Net Charge0
Average Mass396.571
Monoisotopic Mass396.26645
SMILESC/C=C(\C)[C@@H]1C(C)=C[C@@H]2[C@@H](O)[C@@H](C)CC[C@H]2[C@]1(C)/C=C/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C26H36O3/c1-6-18(2)24-20(4)17-21-22(15-14-19(3)25(21)29)26(24,5)16-12-10-8-7-9-11-13-23(27)28/h6-13,16-17,19,21-22,24-25,29H,14-15H2,1-5H3,(H,27,28)/b9-7+,10-8+,13-11+,16-12+,18-6+/t19-,21-,22+,24+,25-,26-/m0/s1
InChIKeyNRPCUDXRWZSLDT-CBKDNREWSA-N
Species of MetaboliteComponentSourceComments
Janthinobacterium (ncbitaxon:29580) - DOI (10.1016/j.tetlet.2018.08.022)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Janthinopolyenemycin A (CHEBI:218052) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4E,6E,8E)-9-[(1S,2R,4aS,5S,6S,8aR)-2-[(E)-but-2-en-2-yl]-5-hydroxy-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]nona-2,4,6,8-tetraenoic acid
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