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CHEBI:62025 - 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoic acid
| Formula | C36H56N2O6S |
| Net Charge | 0 |
| Average Mass | 644.919 |
| Monoisotopic Mass | 644.38591 |
| SMILES | [H][C@@]12CCC3=C(SCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O)C(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H] |
| InChI | InChI=1S/C36H56N2O6S/c1-24(39)26-14-15-27-25-12-13-29-34(30(40)17-20-36(29,3)28(25)16-19-35(26,27)2)45-23-18-32(42)38-22-8-4-6-10-31(41)37-21-9-5-7-11-33(43)44/h25-28H,4-23H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)/t25-,26+,27-,28-,35+,36+/m0/s1 |
| InChIKey | NOHRZHUXQCKVEO-WNAGJTSSSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoic acid (CHEBI:62025) has functional parent progesterone (CHEBI:17026) |
| 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoic acid (CHEBI:62025) is a 20-oxo steroid (CHEBI:36885) |
| 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoic acid (CHEBI:62025) is a 3-oxo-Δ4 steroid (CHEBI:47909) |
| 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoic acid (CHEBI:62025) is a monocarboxylic acid (CHEBI:25384) |
| 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoic acid (CHEBI:62025) is a steroid acid (CHEBI:47891) |
| 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoic acid (CHEBI:62025) is a steroid sulfide (CHEBI:62027) |
| IUPAC Name |
|---|
| 6-{[6-({3-[(3,20-dioxopregn-4-en-4-yl)sulfanyl]propanoyl}amino)hexanoyl]amino}hexanoic acid |
| Synonyms | Source |
|---|---|
| 6-(6-{3-[(pregn-4-ene-3,20-dione-4-yl)thiopropanoyl]aminohexanoyl}amino)hexanoic acid | ChEBI |
| 6-(6-{3-[(pregn-4-ene-3,20-dione-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoic acid | ChEBI |
| 6-(6-{3-[(progesterone-4-yl)thiopropanoyl]aminohexanoyl}amino)hexanoic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9246618 | Reaxys |
| Citations |
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