Substance P

PubChem Notes:

Substance P An eleven-amino acid neurotransmitter that appears in both the central and peripheral nervous systems. It is involved in transmission of pain, causes rapid contractions of the gastrointestinal smooth muscle, and modulates inflammatory and immune responses.

Molecular Formula: C₂₁H₃₄O₄

InChI: InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13u,14?,15u,16u,17u,19u,20u,21-/m0/s1

InChIKey: InChIKey=UPTAPIKFKZGAGM-KHKVLPAEBD
SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C)O

Names:
    Allopregnane-3beta,17alpha,21-triol-20-one
    Compound P
    Pregnan-20-one, 3,17,21-trihydroxy-, (3-beta,5-alpha)- (9CI)
    REICHSTEIN'S SUBSTANCE P
    Substance P
    1-[(17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethanone
    3beta,17alpha,21-Trihydroxy-5alpha-pregnan-20-one
    5-alpha-Pregnan-20-one, 3-beta,17,21-trihydroxy- (8CI)
    516-47-2

Registries:
    ChemSpider: InChIKey=UPTAPIKFKZGAGM-KHKVLPAEBD
    PubChem CID 10593
    PubChem ID 153885