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CHEBI:68123 - Pahayokolide B

ChEBI IDCHEBI:68123
ChEBI NamePahayokolide B
Stars
DefinitionA natural product found in Lyngbya species.
Last Modified8 October 2014
DownloadsMolfile
FormulaC63H90N12O18
Net Charge0
Average Mass1303.479
Monoisotopic Mass1302.64960
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(O)CC(O)C(O)CC(C)C)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/C63H90N12O18/c1-6-39-55(85)72-45(33-76)58(88)67-40(7-2)56(86)73-52(35(5)77)61(91)69-42(23-22-36-16-10-8-11-17-36)63(93)75-27-15-21-47(75)60(90)70-43(30-38(78)31-49(80)48(79)28-34(3)4)53(83)62(92)68-41(24-25-50(64)81)54(84)65-32-51(82)74-26-14-20-46(74)59(89)71-44(57(87)66-39)29-37-18-12-9-13-19-37/h6-13,16-19,34-35,38,41-49,52-53,76-80,83H,14-15,20-33H2,1-5H3,(H2,64,81)(H,65,84)(H,66,87)(H,67,88)(H,68,92)(H,69,91)(H,70,90)(H,71,89)(H,72,85)(H,73,86)/b39-6-,40-7+/t35-,38?,41-,42-,43-,44+,45+,46+,47+,48?,49?,52+,53?/m1/s1
InChIKeyOIVBMJYHGKIQDX-MNIBVNNISA-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 B (CHEBI:68123) is a peptide (CHEBI:16670)
Manual XrefsDatabases
23076847ChemSpider
Citations