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CHEBI:89492 - Arginine vasopressin 1-8

ChEBI IDCHEBI:89492
ChEBI NameArginine vasopressin 1-8
Stars
DownloadsMolfile
FormulaC44H61N13O12S2
Net Charge0
Average Mass1028.185
Monoisotopic Mass1027.40041
SMILESN=C(O)CC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C(N)CSSC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)O)NC(=O)C(CC(=N)O)NC1=O
InChIInChI=1S/C44H61N13O12S2/c45-26-21-70-71-22-32(42(67)57-17-5-9-33(57)41(66)52-28(43(68)69)8-4-16-50-44(48)49)56-40(65)31(20-35(47)60)55-37(62)27(14-15-34(46)59)51-38(63)30(18-23-6-2-1-3-7-23)54-39(64)29(53-36(26)61)19-24-10-12-25(58)13-11-24/h1-3,6-7,10-13,26-33,58H,4-5,8-9,14-22,45H2,(H2,46,59)(H2,47,60)(H,51,63)(H,52,66)(H,53,61)(H,54,64)(H,55,62)(H,56,65)(H,68,69)(H4,48,49,50)/t26?,27-,28-,29-,30-,31?,32+,33-/m1/s1
InChIKeySXYIOPJBWYQZRQ-VMPYSSHJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) cerebrospinal fluid (UBERON:0001359) PubMed (9861478)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Arginine vasopressin 1-8 (CHEBI:89492) is a cyclic peptide (CHEBI:23449)
Synonyms  Source
Cys-Tyr-Phe-Gln-Asn-Cys-Pro-ArgHMDB
Cys-Tyr-Phe-Gln-Asn-Cys-Pro-Arg [Disulfide Bridge: 1-6]HMDB
(2R)-2-{[(2R)-1-{[(4R,10R,13R,16R)-19-amino-13-benzyl-10-[2-(C-hydroxycarbonimidoyl)ethyl]-7-(C-hydroxycarbonimidoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acidHMDB
Des-Gly-NH(,2)('9),[Arg('8)]-VasopressinHMDB
Manual XrefsDatabases
HMDB0012895HMDB
Registry NumbersSources
CAS:37552-33-3KEGG COMPOUND
Citations