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CHEBI:215567 - Omphalotin D

ChEBI IDCHEBI:215567
ChEBI NameOmphalotin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H119N13O18
Net Charge0
Average Mass1466.828
Monoisotopic Mass1465.87960
SMILESCC[C@@H](C)[C@H]1C(=O)N(C)CC(=O)N2C3Nc4ccccc4[C@]3(O)C[C@H]2C(=O)N(C)[C@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](C(C)(C)O)C(=O)N(C)[C@@H]([C@@H](C)[C@H](C)OC(C)=O)C(=O)N(C)[C@@H](OC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C
InChIInChI=1S/C73H119N13O18/c1-28-41(11)53-64(95)81(23)56(40(9)10)67(98)82(24)55(39(7)8)65(96)77(19)35-50(89)79(21)59(72(17,18)101)69(100)84(26)58(43(13)44(14)103-45(15)87)68(99)85(27)70(104-46(16)88)61(92)75-52(37(3)4)63(94)83(25)57(42(12)29-2)66(97)78(20)36-51(90)86-49(62(93)80(22)54(38(5)6)60(91)76-53)34-73(102)47-32-30-31-33-48(47)74-71(73)86/h30-33,37-44,49,52-59,70-71,74,101-102H,28-29,34-36H2,1-27H3,(H,75,92)(H,76,91)/t41-,42+,43-,44-,49-,52-,53-,54+,55-,56-,57-,58-,59+,70-,71?,73+/m0/s1
InChIKeyLZXREDXOPNVYFH-GAGIQCGUSA-N
Species of MetaboliteComponentSourceComments
Omphalotus olearius (ncbitaxon:72120) - DOI (10.1016/s0040-4020(98)00209-9)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Omphalotin D (CHEBI:215567) is a oligopeptide (CHEBI:25676)
IUPAC Name 
[(1S,4R,7S,10S,13S,19S,22S,25R,28S,31S,45R)-22-[(2R,3S)-3-acetyloxybutan-2-yl]-7-[(2S)-butan-2-yl]-31-[(2R)-butan-2-yl]-45-hydroxy-19-(2-hydroxypropan-2-yl)-3,9,12,15,18,21,24,30,33-nonamethyl-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-4,10,13,28-tetra(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33,36,38-tridecazatetracyclo[34.10.0.037,45.039,44]hexatetraconta-39,41,43-trien-25-yl] acetate