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CHEBI:190692 - substance P(3+)

ChEBI IDCHEBI:190692
ChEBI Namesubstance P(3+)
Stars
DefinitionA peptide cation obtained from the protonation of the amino and guanidino groups of substance P; major species at pH 7.3.
Last Modified28 November 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC63H101N18O13S
Net Charge+3
Average Mass1350.681
Monoisotopic Mass1349.74998
SMILESCSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(N)=O
InChIInChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/p+3/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChIKeyADNPLDHMAVUMIW-CUZNLEPHSA-Q
ChEBI Ontology
Outgoing Relation(s)
substance P(3+) (CHEBI:190692) is a peptide cation (CHEBI:60194)
substance P(3+) (CHEBI:190692) is conjugate acid of substance P (CHEBI:80308)
Incoming Relation(s)
substance P(1-6)(2+) (CHEBI:190696) has functional parent substance P(3+) (CHEBI:190692)
substance P(1-7)(2+) (CHEBI:190695) has functional parent substance P(3+) (CHEBI:190692)
substance P(1-8)(2+) (CHEBI:190694) has functional parent substance P(3+) (CHEBI:190692)
substance P(1-9)(2+) (CHEBI:190693) has functional parent substance P(3+) (CHEBI:190692)
substance P (CHEBI:80308) is conjugate base of substance P(3+) (CHEBI:190692)
IUPAC Name 
1-[(2S)-5-{[amino(iminio)methyl]amino}-2-azaniumylpentanoyl]-L-prolyl-6-azaniumyl-L-norleucyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide
Synonyms  Source
RPKPQQFFGLM-NH2(3+)ChEBI
L-Arg-L-Pro-L-Lys-L-Pro-L-Gln-L-Gln-L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2(3+)ChEBI
RPKPQQFFGLM-amide(3+)ChEBI
substance P tricationChEBI
UniProt Name  Source
substance PUniProt