CHEBI:205009 - Liposidolide A

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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 Liposidolide A
ChEBI ID CHEBI:205009
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C78H138O30
Net Charge 0
Average Mass 1555.932
Monoisotopic Mass 1554.92729
InChI InChI=1S/C78H138O30/c1-11-13-14-15-16-17-18-19-20-23-49(81)33-54(86)37-63(91)102-60-39-64(101-47(9)73(60)100-10)103-59(12-2)43(5)65(92)44(6)66(93)45(7)71-46(8)72-74(106-72)56(87)27-22-26-50(82)32-52(84)34-53(85)35-55-38-58(89)75(97)78(99,108-55)76(98)70(107-77-69(96)68(95)67(94)61(40-79)104-77)42(4)28-30-48(80)24-21-25-51(83)36-57(88)41(3)29-31-62(90)105-71/h20,23,29,31,41-61,64-75,77,79-89,92-97,99H,11-19,21-22,24-28,30,32-40H2,1-10H3/b23-20+,31-29?/t41?,42?,43?,44?,45?,46?,47-,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60-,61-,64+,65?,66?,67-,68+,69+,70?,71?,72?,73-,74?,75?,77-,78?/m1/s1
InChIKey PKZZAHCVPDDHNO-LHRGPJSJSA-N
SMILES O=C1OC(C(C2OC2C(O)CCCC(O)CC(O)CC(O)CC3OC(C(C(C(CCC(CCCC(CC(C(C=C1)C)O)O)O)C)O[C@H]4O[C@@H]([C@@H](O)[C@@H]([C@@H]4O)O)CO)=O)(O)C(O)C(C3)O)C)C(C(O)C(C(O)C(C(O[C@@H]5O[C@@H]([C@@H](OC)[C@@H](C5)OC(=O)CC(O)CC(O)/C=C/CCCCCCCCC)C)CC)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Liposidolide A (CHEBI:205009) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name
[(2R,3R,4R,6R)-6-[8-[3,5,7,11,22,24,28,34,35,36-decahydroxy-15,21,31-trimethyl-18,33-dioxo-32-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-13,17,38-trioxatricyclo[32.3.1.012,14]octatriacont-19-en-16-yl]-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy-3-methoxy-2-methyloxan-4-yl] (E)-3,5-dihydroxyhexadec-6-enoate