CHEBI:190692 - substance P(3+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name substance P(3+)
ChEBI ID CHEBI:190692
Definition A peptide cation obtained from the protonation of the amino and guanidino groups of substance P; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C63H101N18O13S
Net Charge +3
Average Mass 1350.670
Monoisotopic Mass 1349.74998
InChI InChI=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
InChIKey ADNPLDHMAVUMIW-CUZNLEPHSA-Q
SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)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
ChEBI Ontology
Outgoing 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 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 Sources
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
RPKPQQFFGLM-NH2(3+) ChEBI
substance P UniProt
substance P trication ChEBI
Last Modified
28 November 2022