CHEBI:202112 - Lobophorin I

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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 Lobophorin I
ChEBI ID CHEBI:202112
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C61H88N2O21
Net Charge 0
Average Mass 1185.368
Monoisotopic Mass 1184.58796
InChI InChI=1S/C61H88N2O21/c1-27-14-17-42(80-47-25-59(10,63(72)73)54(35(9)79-47)62-58(71)75-13)28(2)19-37-20-36(26-64)31(5)24-61(37)56(69)48(57(70)84-61)55(68)60(11)39(27)16-15-38-49(60)29(3)18-30(4)51(38)82-46-23-43(50(67)32(6)76-46)81-44-22-41(66)53(34(8)78-44)83-45-21-40(65)52(74-12)33(7)77-45/h14-16,19-20,26,29-35,37-47,49-54,65-68H,17-18,21-25H2,1-13H3,(H,62,71)/t29-,30-,31+,32+,33+,34+,35+,37-,38-,39-,40-,41-,42?,43-,44-,45-,46-,47+,49+,50+,51-,52+,53+,54-,59-,60+,61?/m1/s1
InChIKey FKPHBCYNXIGWLW-OZRRPFOLSA-N
SMILES O=[N+]([O-])[C@]1([C@H](NC(=O)OC)[C@@H](O[C@H](C1)OC2C(=C[C@@H]3C=C(C=O)[C@@H](C)CC34OC(=O)C(C4=O)=C([C@]5([C@@H](C(=CC2)C)C=C[C@H]6[C@H](O[C@H]7O[C@H]([C@H](O)[C@@H](C7)O[C@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](OC)[C@@H](C9)O)C)[C@@H](C8)O)C)C)[C@H](C)C[C@H]([C@H]56)C)C)O)C)C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Lobophorin I (CHEBI:202112) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
methyl N-[(2S,3S,4R,6R)-6-[[(3S,6R,13R,16R,17R,18R,20R,21S,22R)-4-ormyl-23-hydroxy-17-[(2S,4R,5S,6S)-5-hydroxy-4-[(2R,4R,5R,6S)-4-hydroxy-5-[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,8,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-2,4-dimethyl-4-nitrooxan-3-yl]carbamate