UCSF

ZINC01532692

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 11 No

Popular Name: Phosphorylcholine Phosphorylcholine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 107-73-3 , 3616-04-4 , 4826-71-5 , 72556-74-2 , [72556-74-2]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.93 2.3 -113.35 0 5 -1 72 182.136 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.36e+00 g/l DrugBank-experimental
UniProt Database Links AAPT1_ARATH; AAPT2_ARATH; ACTP1_ACTEQ; ACTP1_ACTVL; ACTP1_ANTAS; ACTP1_HETMG; ACTP1_SAGRO; ACTP1_STOHE; ACTP1_URTCR; ACTP2_ACTEQ; ACTP2_ACTVL; ACTP2_CYMEC; ACTP2_HETMG; ACTP2_STOHE; ACTP3_ACTEQ; ACTP3_HETMG; ACTP4_ACTEQ; ACTP5_ACTEQ; ACTPA_ACTTE; ACTPA_HE ChEBI
UniProt Database Links ADPRM_ARATH; ADPRM_BOVIN; ADPRM_DANRE; ADPRM_HUMAN; ADPRM_MOUSE; ADPRM_ORYSJ; ADPRM_RAT; ADPRM_XENLA; ADPRM_XENTR; ANKX_LEGPH; CCT1_ARATH; CCT2_ARATH; CHKA_HUMAN; CHKA_MOUSE; CHKA_RAT; CHKB_HUMAN; CHKB_MOUSE; CHKB_RAT; CK1_ARATH; CK2_ARATH; CK3_ARATH; ENP ChEBI
Patent Database Links EP0965583; EP0965584; US2001036927; US2002025920; US2003133904; US2003149097; US2004235949; US2008035243; WO2005084395; WO2007096745; WO2007137040; WO2008124749 ChEBI
Reactome Database Links REACT_115560; REACT_115857; REACT_116064; REACT_116148; REACT_13752 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Ceramide signalling
Glycosphingolipid metabolism

Analogs ( Draw Identity 99% 90% 80% 70% )