EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C44H74NO12P |
| Net Charge | 0 |
| Average Mass | 840.045 |
| Monoisotopic Mass | 839.49486 |
| SMILES | CCCCCc1oc(CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCCc2oc(CCC)c(C)c2C)c(C)c1C |
| InChI | InChI=1S/C44H74NO12P/c1-7-9-18-24-39-34(5)35(6)41(57-39)26-20-14-10-12-16-21-27-42(46)52-29-36(30-53-58(50,51)54-31-37(45)44(48)49)55-43(47)28-22-17-13-11-15-19-25-40-33(4)32(3)38(56-40)23-8-2/h36-37H,7-31,45H2,1-6H3,(H,48,49)(H,50,51) |
| InChIKey | AVEBVDPJOUZBJB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bos taurus (ncbitaxon:9913) | |||
| spermatozoon (BTO:0001277) | MetaboLights (MTBLS1071) | Strain: Holstein-Friesian cattle [26105007] | |
| spermatozoon (FMA:67338) | MetaboLights (MTBLS1071) | Strain: Holstein-Friesian cattle [26105007] |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PS(DIME(9,5)/DIME(9,3)) (CHEBI:184324) is a phosphatidyl-L-serine (CHEBI:18303) |
| IUPAC Name |
|---|
| 2-amino-3-[[3-[9-(3,4-dimethyl-5-pentyluran-2-yl)nonanoyloxy]-2-[9-(3,4-dimethyl-5-propyluran-2-yl)nonanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 74849563 | ChemSpider |
| HMDB0061591 | HMDB |