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CHEBI:205449 - Omphalotin H

ChEBI IDCHEBI:205449
ChEBI NameOmphalotin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H119N13O19
Net Charge0
Average Mass1482.827
Monoisotopic Mass1481.87452
SMILESCCC(C)[C@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2C[C@@]3(O)c4ccccc4N(O)[C@H]3N2C(=O)CN(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(OC(C)=O)N(C)C(=O)[C@H]([C@@H](C)C(C)OC(C)=O)N(C)C(=O)[C@H](C(C)(C)O)N(C)C(=O)CN(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
InChIInChI=1S/C73H119N13O19/c1-28-41(11)53-64(95)80(23)56(40(9)10)67(98)81(24)55(39(7)8)65(96)76(19)35-50(89)78(21)59(72(17,18)101)69(100)83(26)58(43(13)44(14)104-45(15)87)68(99)84(27)70(105-46(16)88)61(92)74-52(37(3)4)63(94)82(25)57(42(12)29-2)66(97)77(20)36-51(90)85-49(62(93)79(22)54(38(5)6)60(91)75-53)34-73(102)47-32-30-31-33-48(47)86(103)71(73)85/h30-33,37-44,49,52-59,70-71,101-103H,28-29,34-36H2,1-27H3,(H,74,92)(H,75,91)/t41?,42-,43-,44?,49-,52-,53+,54-,55-,56-,57-,58-,59+,70?,71+,73+/m0/s1
InChIKeyCHMDQEABSSULKV-VSLSFQDISA-N
Species of MetaboliteComponentSourceComments
Omphalotus olearius (ncbitaxon:72120) - DOI (10.1002/ejoc.200801068)
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 H (CHEBI:205449) is a oligopeptide (CHEBI:25676)
IUPAC Name 
[(1S,4S,7S,10S,13S,19S,22S,28S,31S,37R,45R)-22-[(2R)-3-acetyloxybutan-2-yl]-7-butan-2-yl-31-[(2S)-butan-2-yl]-38,45-dihydroxy-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
Manual XrefsDatabases
78445149ChemSpider