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CHEBI:78364 - vasotocin

ChEBI IDCHEBI:78364
ChEBI Namevasotocin
Stars
DefinitionA heterodetic cyclic peptide that is homologous to oxytocin and vasopressin. It is a pituitary hormone that acts as an endocrine regulator for water balance, osmotic homoeostasis and is involved in social and sexual behavior in non-mammalian vertebrates.
Last Modified23 October 2020
Submitternamrata
DownloadsMolfile
FormulaC43H67N15O12S2
Net Charge0
Average Mass1050.236
Monoisotopic Mass1049.45350
SMILES[H][C@@]1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
InChIInChI=1S/C43H67N15O12S2/c1-3-21(2)34-41(69)53-26(12-13-31(45)60)37(65)55-28(17-32(46)61)38(66)56-29(20-72-71-19-24(44)35(63)54-27(39(67)57-34)16-22-8-10-23(59)11-9-22)42(70)58-15-5-7-30(58)40(68)52-25(6-4-14-50-43(48)49)36(64)51-18-33(47)62/h8-11,21,24-30,34,59H,3-7,12-20,44H2,1-2H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,64)(H,52,68)(H,53,69)(H,54,63)(H,55,65)(H,56,66)(H,57,67)(H4,48,49,50)/t21-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1
InChIKeyOXDZADMCOWPSOC-BQGUCLBMSA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
vasotocin (CHEBI:78364) has role animal metabolite (CHEBI:75767)
vasotocin (CHEBI:78364) is a heterodetic cyclic peptide (CHEBI:24533)
vasotocin (CHEBI:78364) is a peptide hormone (CHEBI:25905)
IUPAC Name 
1-{[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-arginylglycinamide
INNs  Source
argiprestocinWHO MedNet
argiprestocinaWHO MedNet
argiprestocineWHO MedNet
argiprestocinumWHO MedNet
Synonyms  Source
[8-arginine]-oxytocinChEBI
8-Arg-vasotocinChemIDplus
arginine vasotocinChEBI
Arg-vasotocinChemIDplus
AVTChEBI
Manual XrefsDatabases
VasotocinWikipedia
Registry NumbersSources
Reaxys:4902334Reaxys
CAS:113-80-4ChemIDplus
Citations