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CHEBI:197641 - Omphalotin F

ChEBI IDCHEBI:197641
ChEBI NameOmphalotin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC69H115N13O17
Net Charge0
Average Mass1398.753
Monoisotopic Mass1397.85339
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(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/C69H115N13O17/c1-26-39(11)49-60(90)76(21)52(38(9)10)63(93)77(22)51(37(7)8)61(91)72(17)33-46(84)74(19)55(68(15,16)97)65(95)79(24)54(41(13)42(14)83)64(94)80(25)66(96)57(87)70-48(35(3)4)59(89)78(23)53(40(12)27-2)62(92)73(18)34-47(85)81-45(58(88)75(20)50(36(5)6)56(86)71-49)32-69(98)43-30-28-29-31-44(43)82(99)67(69)81/h28-31,35-42,45,48-55,66-67,83,96-99H,26-27,32-34H2,1-25H3,(H,70,87)(H,71,86)/t39?,40-,41-,42?,45-,48-,49-,50-,51-,52-,53-,54-,55+,66?,67+,69+/m0/s1
InChIKeyAQUXETDXUGAKJQ-UTCVAVSRSA-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 F (CHEBI:197641) 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]-25,38,45-trihydroxy-22-[(2R)-3-hydroxybutan-2-yl]-19-(2-hydroxypropan-2-yl)-3,9,12,15,18,21,24,30,33-nonamethyl-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-triene-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
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