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CHEBI:62024 - 6-{3-[(progesterone-4-yl)thiopropionyl]amino}hexanoic acid
| Formula | C30H45NO5S |
| Net Charge | 0 |
| Average Mass | 531.759 |
| Monoisotopic Mass | 531.30184 |
| SMILES | [H][C@@]12CCC3=C(SCCC(=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/C30H45NO5S/c1-19(32)21-10-11-22-20-8-9-24-28(37-18-14-26(34)31-17-6-4-5-7-27(35)36)25(33)13-16-30(24,3)23(20)12-15-29(21,22)2/h20-23H,4-18H2,1-3H3,(H,31,34)(H,35,36)/t20-,21+,22-,23-,29+,30+/m0/s1 |
| InChIKey | HTYZSQJQMYZWSD-AOPJIFPQSA-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-{3-[(progesterone-4-yl)thiopropionyl]amino}hexanoic acid (CHEBI:62024) has functional parent progesterone (CHEBI:17026) |
| 6-{3-[(progesterone-4-yl)thiopropionyl]amino}hexanoic acid (CHEBI:62024) is a 20-oxo steroid (CHEBI:36885) |
| 6-{3-[(progesterone-4-yl)thiopropionyl]amino}hexanoic acid (CHEBI:62024) is a 3-oxo-Δ4 steroid (CHEBI:47909) |
| 6-{3-[(progesterone-4-yl)thiopropionyl]amino}hexanoic acid (CHEBI:62024) is a monocarboxylic acid (CHEBI:25384) |
| 6-{3-[(progesterone-4-yl)thiopropionyl]amino}hexanoic acid (CHEBI:62024) is a steroid acid (CHEBI:47891) |
| 6-{3-[(progesterone-4-yl)thiopropionyl]amino}hexanoic acid (CHEBI:62024) is a steroid sulfide (CHEBI:62027) |
| IUPAC Name |
|---|
| 6-({3-[(3,20-dioxopregn-4-en-4-yl)sulfanyl]propanoyl}amino)hexanoic acid |
| Synonyms | Source |
|---|---|
| 6-{3-[(pregn-4-ene-3,20-dione-4-yl)thiopropanoyl]amino}hexanoic acid | ChEBI |
| 6-{3-[(pregn-4-ene-3,20-dione-4-yl)thiopropionyl]amino}hexanoic acid | ChEBI |
| 6-{3-[(progesterone-4-yl)thiopropanoyl]amino}hexanoic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9243291 | Reaxys |
| Citations |
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