In-Silico Structure database (LMISSD)
| |
LM ID | LMST0506A041 |
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Common Name | Arg-DCA |
Systematic Name | N-(3α,12α-dihydroxy-5β-cholan-24-oyl)-arginine |
Synonyms | - |
Exact Mass | |
Formula | C30H52N4O5 |
Category | Sterol Lipids [ST] |
Main Class | Steroid conjugates [ST05] |
Sub Class | Amino acid conjugates [ST0506] |
PubChem Compound ID (CID) | - |
InChIKey | ODCMYURABUZDRD-HZPFSXGQSA-N |
InChI | InChI=1S/C30H52N4O5/c1-17(6-11-26(37)34-24(27(38)39)5-4-14-33-28(31)32)21-9-10-2 2-20-8-7-18-15-19(35)12-13-29(18,2)23(20)16-25(36)30(21,22)3/h17-25,35-36H,4-16H 2,1-3H3,(H,34,37)(H,38,39)(H4,31,32,33)/t17-,18-,19-,20+,21-,22+,23+,24+,25+,29+ ,30-/m1/s1 |
SMILES | C[C@H](CCC(=N[C@@H](CCCNC(=N)N)C(=O)O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC [C@]4(C)[C@H]3C[C@@H]([C@]12C)O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |