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CHEBI:230050 - Antigonadotropic decapeptide

ChEBI IDCHEBI:230050
ChEBI NameAntigonadotropic decapeptide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H81N11O16
Net Charge0
Average Mass1188.347
Monoisotopic Mass1187.58628
SMILESCC(O)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(N)CO)C(C)O)C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C58H81N11O16/c1-32(71)46(54(80)62-41(28-37-21-23-38(74)24-22-37)51(77)64-43(30-36-16-8-5-9-17-36)57(83)69-27-13-20-45(69)58(84)85)65-50(76)40(18-10-11-25-59)61-53(79)47(33(2)72)67-55(81)48(34(3)73)66-52(78)44-19-12-26-68(44)56(82)42(63-49(75)39(60)31-70)29-35-14-6-4-7-15-35/h4-9,14-17,21-24,32-34,39-48,70-74H,10-13,18-20,25-31,59-60H2,1-3H3,(H,61,79)(H,62,80)(H,63,75)(H,64,77)(H,65,76)(H,66,78)(H,67,81)(H,84,85)
InChIKeyRNGJMKUSHQMLGU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Antigonadotropic decapeptide (CHEBI:230050) is a peptide (CHEBI:16670)
IUPAC Name 
1-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[1-[2-[(2-amino-3-hydroxypropanoyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
HMDB0248487HMDB