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CHEBI:223726 - Omphalotin G

ChEBI IDCHEBI:223726
ChEBI NameOmphalotin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC71H117N13O18
Net Charge0
Average Mass1440.790
Monoisotopic Mass1439.86395
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)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/C71H117N13O18/c1-27-40(11)51-62(93)78(22)54(39(9)10)65(96)79(23)53(38(7)8)63(94)74(18)34-48(87)76(20)57(70(16,17)99)67(98)81(25)56(42(13)43(14)85)66(97)82(26)68(102-44(15)86)59(90)72-50(36(3)4)61(92)80(24)55(41(12)28-2)64(95)75(19)35-49(88)83-47(60(91)77(21)52(37(5)6)58(89)73-51)33-71(100)45-31-29-30-32-46(45)84(101)69(71)83/h29-32,36-43,47,50-57,68-69,85,99-101H,27-28,33-35H2,1-26H3,(H,72,90)(H,73,89)/t40?,41-,42-,43?,47-,50-,51-,52-,53-,54-,55-,56-,57+,68?,69+,71+/m0/s1
InChIKeyVSUDGMYITZGZKT-XAZLHRRZSA-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 G (CHEBI:223726) is a oligopeptide (CHEBI:25676)
IUPAC Name 
[(1S,4S,7S,10S,13S,19S,22S,28S,31S,37R,45R)-7-butan-2-yl-31-[(2S)-butan-2-yl]-38,45-dihydroxy-22-[(2R)-3-hydroxybutan-2-yl]-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
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