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CHEBI:221922 - Piricyclamide GTHLYTITP

ChEBI IDCHEBI:221922
ChEBI NamePiricyclamide GTHLYTITP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H69N11O13
Net Charge0
Average Mass984.122
Monoisotopic Mass983.50763
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cncn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC1=O
InChIInChI=1S/C46H69N11O13/c1-8-23(4)35-43(67)56-38(26(7)60)46(70)57-15-9-10-33(57)42(66)48-20-34(62)53-36(24(5)58)44(68)52-32(18-28-19-47-21-49-28)40(64)50-30(16-22(2)3)39(63)51-31(17-27-11-13-29(61)14-12-27)41(65)55-37(25(6)59)45(69)54-35/h11-14,19,21-26,30-33,35-38,58-61H,8-10,15-18,20H2,1-7H3,(H,47,49)(H,48,66)(H,50,64)(H,51,63)(H,52,68)(H,53,62)(H,54,69)(H,55,65)(H,56,67)/t23-,24+,25+,26+,30-,31-,32-,33-,35-,36-,37-,38-/m0/s1
InChIKeyIDMPBPQZEDEBJM-BUGBWIRWSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (22952627)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Piricyclamide GTHLYTITP (CHEBI:221922) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,9S,12S,15S,18S,21S,27S)-6-[(2S)-butan-2-yl]-3,9,21-tris[(1R)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-18-(1H-imidazol-5-ylmethyl)-15-(2-methylpropyl)-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone