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CHEBI:206099 - 7-ketothiomarinol C

ChEBI IDCHEBI:206099
ChEBI Name7-ketothiomarinol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44N2O8S2
Net Charge0
Average Mass624.822
Monoisotopic Mass624.25391
SMILESC/C(=C\C(=O)OCCCCCCCC(=O)NC1C(=O)NC2=CSSC21)C[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)C(=O)[C@H]1O
InChIInChI=1S/C30H44N2O8S2/c1-18(14-23-28(37)27(36)21(16-40-23)11-9-10-19(2)20(3)33)15-25(35)39-13-8-6-4-5-7-12-24(34)32-26-29-22(17-41-42-29)31-30(26)38/h9-10,15,17,19-21,23,26,28-29,33,37H,4-8,11-14,16H2,1-3H3,(H,31,38)(H,32,34)/b10-9+,18-15+/t19-,20+,21+,23+,26?,28+,29?/m1/s1
InChIKeyJEIVPNCTEHTHDM-HKIXOUEBSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonasspecies (ncbitaxon:53249) - PubMed (28181382)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7-ketothiomarinol C (CHEBI:206099) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[8-oxo-8-[(5-oxo-6,6a-dihydro-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] (E)-4-[(2S,3S,5S)-3-hydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]-4-oxooxan-2-yl]-3-methylbut-2-enoate