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CHEBI:218060 - Janthinopolyenemycin B

ChEBI IDCHEBI:218060
ChEBI NameJanthinopolyenemycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O4
Net Charge0
Average Mass412.570
Monoisotopic Mass412.26136
SMILESC/C=C(\C)[C@@H]1C(CO)=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/C26H36O4/c1-5-18(2)24-20(17-27)16-21-22(14-13-19(3)25(21)30)26(24,4)15-11-9-7-6-8-10-12-23(28)29/h5-12,15-16,19,21-22,24-25,27,30H,13-14,17H2,1-4H3,(H,28,29)/b8-6+,9-7+,12-10+,15-11+,18-5+/t19-,21-,22+,24+,25-,26-/m0/s1
InChIKeyHQBUFDHCDKVRME-GFOUDHLOSA-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 B (CHEBI:218060) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4E,6E,8E)-9-[(1S,2S,4aS,5S,6S,8aR)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3-(hydroxymethyl)-1,6-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]nona-2,4,6,8-tetraenoic acid
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