EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68122 - Pahayokolide A

ChEBI IDCHEBI:68122
ChEBI NamePahayokolide A
Stars
DefinitionA natural product found in Lyngbya species.
Last Modified8 October 2014
DownloadsMolfile
FormulaC72H105N13O20
Net Charge0
Average Mass1472.703
Monoisotopic Mass1471.75988
SMILESC/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)[C@@H](CC(CC(O)C(O)CC(C)C)OC(=O)[C@H](CC(C)C)N(C)C(C)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)/C(=C\C)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C72H105N13O20/c1-10-46-63(95)81-52(38-86)66(98)76-47(11-2)64(96)82-60(41(7)87)69(101)78-49(27-26-43-20-14-12-15-21-43)71(103)85-31-19-25-54(85)68(100)79-50(35-45(36-57(90)56(89)33-40(5)6)105-72(104)55(32-39(3)4)83(9)42(8)88)61(93)70(102)77-48(28-29-58(73)91)62(94)74-37-59(92)84-30-18-24-53(84)67(99)80-51(65(97)75-46)34-44-22-16-13-17-23-44/h10-17,20-23,39-41,45,48-57,60-61,86-87,89-90,93H,18-19,24-38H2,1-9H3,(H2,73,91)(H,74,94)(H,75,97)(H,76,98)(H,77,102)(H,78,101)(H,79,100)(H,80,99)(H,81,95)(H,82,96)/b46-10-,47-11+/t41-,45?,48-,49-,50-,51+,52+,53+,54+,55+,56?,57?,60+,61?/m1/s1
InChIKeyKAWIJJOWYRPPRV-UZBQVGINSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (21650153) Lyngbya sp. Isolated from Florida Everglades Strain: 15 2
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pahayokolide A (CHEBI:68122) is a peptide (CHEBI:16670)
Citations