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CHEBI:221888 - Piricyclamide 7005E1-M(O)

ChEBI IDCHEBI:221888
ChEBI NamePiricyclamide 7005E1-M(O)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H78N10O16S
Net Charge0
Average Mass1179.361
Monoisotopic Mass1178.53180
SMILESCC(C)=CCC/C(C)=C\COc1ccc(C[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCS(C)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1
InChIInChI=1S/C56H78N10O16S/c1-31(2)9-7-10-33(5)20-23-82-37-18-14-35(15-19-37)26-39-51(75)60-40(25-34-12-16-36(68)17-13-34)52(76)63-42(27-45(57)69)56(80)66-22-8-11-44(66)54(78)59-38(21-24-83(6)81)50(74)64-43(30-67)49(73)58-29-46(70)65-48(32(3)4)55(79)62-41(28-47(71)72)53(77)61-39/h9,12-20,32,38-44,48,67-68H,7-8,10-11,21-30H2,1-6H3,(H2,57,69)(H,58,73)(H,59,78)(H,60,75)(H,61,77)(H,62,79)(H,63,76)(H,64,74)(H,65,70)(H,71,72)/b33-20-/t38-,39-,40-,41-,42-,43-,44-,48-,83?/m0/s1
InChIKeyGTLMUNVPVPGMMM-BHZAYHJKSA-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 7005E1-M(O) (CHEBI:221888) is a peptide (CHEBI:16670)
IUPAC Name 
2-[(3S,6S,9S,12S,15S,21S,24S,27S)-3-(2-amino-2-oxoethyl)-9-[[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]phenyl]methyl]-21-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-24-(2-methylsulinylethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-15-propan-2-yl-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontan-12-yl]acetic acid