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CHEBI:7872 - oxytocin

ChEBI IDCHEBI:7872
ChEBI Nameoxytocin
Stars
DefinitionA cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour.
Last Modified27 November 2020
DownloadsMolfile

FormulaC43H66N12O12S2
Net Charge0
Average Mass1007.207
Monoisotopic Mass1006.43646
SMILES[H][C@@]1([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIInChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
InChIKeyXNOPRXBHLZRZKH-DSZYJQQASA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
1-({(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-(4-hydroxybenzyl)-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-L-prolyl-L-leucylglycinamide
INNs  Source
oxytocinChemIDplus
oxitocina  esChemIDplus
oxytocine  frChemIDplus
oxytocinum  laChemIDplus
Synonyms  Source
OxytocinKEGG COMPOUND
OcytocinKEGG COMPOUND
OTKEGG COMPOUND
OXTKEGG COMPOUND
(1-Hemicystine)oxytocinChemIDplus
3-Isoleucine-8-leucine vasopressinChemIDplus
Brand Names  Source
SyntocinonDrugBank
PitocinDrugBank
OrasthinChemIDplus
Piton SChemIDplus
SyntocinonChemIDplus
Manual XrefsDatabases
C00746KEGG COMPOUND
D00089KEGG DRUG
DB00107DrugBank
US2938891Patent
US3076797Patent
HMDB0002865HMDB
OxytocinWikipedia
2042DrugCentral
Registry NumbersSources
Beilstein:3586108Beilstein
CAS:50-56-6ChemIDplus
Citations