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CHEBI:221934 - Piricyclamide SQWGWRGLSDP

ChEBI IDCHEBI:221934
ChEBI NamePiricyclamide SQWGWRGLSDP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H79N17O16
Net Charge0
Average Mass1270.373
Monoisotopic Mass1269.58907
SMILESCC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C58H79N17O16/c1-29(2)19-38-52(86)73-42(27-76)55(89)72-41(22-48(81)82)57(91)75-18-8-14-44(75)56(90)74-43(28-77)54(88)70-37(15-16-45(59)78)51(85)71-39(20-30-23-63-34-11-5-3-9-32(30)34)50(84)66-26-47(80)68-40(21-31-24-64-35-12-6-4-10-33(31)35)53(87)69-36(13-7-17-62-58(60)61)49(83)65-25-46(79)67-38/h3-6,9-12,23-24,29,36-44,63-64,76-77H,7-8,13-22,25-28H2,1-2H3,(H2,59,78)(H,65,83)(H,66,84)(H,67,79)(H,68,80)(H,69,87)(H,70,88)(H,71,85)(H,72,89)(H,73,86)(H,74,90)(H,81,82)(H4,60,61,62)/t36-,37-,38-,39-,40-,41-,42-,43+,44-/m0/s1
InChIKeyJZZUYXCMSCYHMW-YSUREIBVSA-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 SQWGWRGLSDP (CHEBI:221934) is a peptide (CHEBI:16670)
IUPAC Name 
2-[(3S,6S,9S,15S,18S,24S,27S,30R,33S)-27-(3-amino-3-oxopropyl)-15-[3-(diaminomethylideneamino)propyl]-6,30-bis(hydroxymethyl)-18,24-bis(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-3-yl]acetic acid