CHEBI:197816 - Lucensimycin F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lucensimycin F
ChEBI ID CHEBI:197816
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C46H62N2O21S
Net Charge 0
Average Mass 1011.060
Monoisotopic Mass 1010.35658
InChI InChI=1S/C46H62N2O21S/c1-18-26(66-20(3)51)14-24-23(31(18)54)12-11-21-13-22(9-7-5-6-8-10-29(52)53)46(43(64)45(21,24)4)40(62)28(68-44(46)65)17-70-16-25(47-19(2)50)41(63)48-30-33(56)32(55)27(15-49)67-42(30)69-39-37(60)35(58)34(57)36(59)38(39)61/h5-12,18,21-28,30-39,42,49,54-61H,13-17H2,1-4H3,(H,47,50)(H,48,63)(H,52,53)/t18-,21-,22+,23+,24-,25+,26+,27-,28-,30+,31+,32+,33+,34?,35-,36+,37-,38-,39?,42+,45-,46-/m0/s1
InChIKey UVXKPNMTXXZBGO-AULCHTAUSA-N
SMILES S(C[C@@H]1OC(=O)[C@@]2(C1=O)C(=O)[C@]3([C@@H](C=C[C@@H]4[C@@H]3C[C@@H](OC(=O)C)[C@@H]([C@H]4O)C)C[C@H]2C=CC=CC=CC(=O)O)C)C[C@@H](NC(=O)C)C(=O)N[C@H]5[C@H](O[C@@H](CO)[C@H]([C@@H]5O)O)OC6[C@@H](O)[C@@H](O)C(O)[C@H]([C@@H]6O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Lucensimycin F (CHEBI:197816) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name
7-[(2S,3R,4aS,4bS,5'R,6R,7R,8S,8aR,10aR)-5'-[[(2S)-2-acetamido-3-[[(2R,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]amino]-3-oxopropyl]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