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CHEBI:199906 - Lucensimycin D

ChEBI IDCHEBI:199906
ChEBI NameLucensimycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H41NO12S
Net Charge0
Average Mass687.764
Monoisotopic Mass687.23495
SMILESCC(=O)N[C@H](CSC[C@@H]1OC(=O)[C@@]2(C1=O)C(=O)[C@@]1(C)[C@@H](C=C[C@H]3[C@H](O)[C@@H](C)[C@H](OC(C)=O)C[C@@H]31)C[C@H]2C=CC=CC=CC(=O)O)C(=O)O
InChIInChI=1S/C34H41NO12S/c1-17-25(46-19(3)37)14-23-22(28(17)40)12-11-20-13-21(9-7-5-6-8-10-27(38)39)34(31(44)33(20,23)4)29(41)26(47-32(34)45)16-48-15-24(30(42)43)35-18(2)36/h5-12,17,20-26,28,40H,13-16H2,1-4H3,(H,35,36)(H,38,39)(H,42,43)/t17-,20-,21+,22+,23-,24+,25+,26-,28+,33-,34-/m0/s1
InChIKeyPTLQDKFYOYMVQN-PZQRPVLWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (19115838)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Lucensimycin D (CHEBI:199906) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
7-[(2S,3R,4aS,4bS,5'R,6R,7R,8S,8aR,10aR)-5'-[[(2S)-2-acetamido-2-carboxyethyl]sulanylmethyl]-6-acetyloxy-8-hydroxy-4a,7-dimethyl-2',4,4'-trioxospiro[2,4b,5,6,7,8,8a,10a-octahydro-1H-phenanthrene-3,3'-oxolane]-2-yl]hepta-2,4,6-trienoic acid