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CHEBI:80308 - substance P

ChEBI IDCHEBI:80308
ChEBI Namesubstance P
Stars
DefinitionA neuropeptide consisting of 11-amino acids. It preferentially activates neurokinin-1 receptors, exterting excitatory effects on central and peripheral neurons and involved in pain transmission.
Last Modified28 November 2022
DownloadsMolfile
FormulaC63H98N18O13S
Net Charge0
Average Mass1347.657
Monoisotopic Mass1346.72815
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](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)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)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChIKeyADNPLDHMAVUMIW-CUZNLEPHSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
neurotransmitter  An endogenous compound that is used to transmit information across the synapse between a neuron and another cell.
neurokinin-1 receptor agonist  An agonist at the neurokinin-1 receptor.
Application:
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
substance P (CHEBI:80308) has role neurokinin-1 receptor agonist (CHEBI:194137)
substance P (CHEBI:80308) has role neurotransmitter (CHEBI:25512)
substance P (CHEBI:80308) has role vasodilator agent (CHEBI:35620)
substance P (CHEBI:80308) is a peptide (CHEBI:16670)
substance P (CHEBI:80308) is conjugate base of substance P(3+) (CHEBI:190692)
Incoming Relation(s)
substance P(3+) (CHEBI:190692) is conjugate acid of substance P (CHEBI:80308)
IUPAC Name 
L-arginyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide
Synonyms  Source
L-Arg-L-Pro-L-Lys-L-Pro-L-Gln-L-Gln-L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2ChEBI
Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2ChemIDplus
RPKPQQFFGLM-NH2ChEBI
SPChEBI
H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2ChEBI
RPKPQQFFGLM-amideChEBI
Manual XrefsDatabases
C16094KEGG COMPOUND
FDB002259FooDB
Substance_PWikipedia
HMDB0001897HMDB
US2010190722Patent
Registry NumbersSources
CAS:33507-63-0ChemIDplus
Citations