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CHEBI:222118 - Auyuittuqamide B

ChEBI IDCHEBI:222118
ChEBI NameAuyuittuqamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H80N10O12
Net Charge0
Average Mass1001.237
Monoisotopic Mass1000.59572
SMILESCC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)O)N(C)C1=O
InChIInChI=1S/C49H80N10O12/c1-25(2)20-32-47(69)59(14)41(30(11)61)46(68)56-38(27(5)6)48(70)57(12)34(21-31-18-16-15-17-19-31)43(65)50-23-36(63)54-37(26(3)4)44(66)53-33(24-60)42(64)55-39(28(7)8)49(71)58(13)40(29(9)10)45(67)51-22-35(62)52-32/h15-19,25-30,32-34,37-41,60-61H,20-24H2,1-14H3,(H,50,65)(H,51,67)(H,52,62)(H,53,66)(H,54,63)(H,55,64)(H,56,68)/t30?,32-,33-,34-,37-,38-,39-,40-,41-/m0/s1
InChIKeyXDKZAPYHHPZYCN-MLYXPBMMSA-N
Species of MetaboliteComponentSourceComments
Sesquicillium (ncbitaxon:122396) - PubMed (33356241)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Auyuittuqamide B (CHEBI:222118) is a oligopeptide (CHEBI:25676)