CHEBI:62025 - 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoic acid

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ChEBI Name 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoic acid ChEBI ID CHEBI:62025 Definition A steroid acid consisting of 6-{6-[3-(thiopropionyl)aminohexanoyl]amino}hexanoic acid having a progesterone-4-yl group attached to the sulfur. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C36H56N2O6S Net Charge 0 Average Mass 644.90500 Monoisotopic Mass 644.38591 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 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](CC[C@@]21[H])C(C)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 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 Number Type Source 9246618 Reaxys Registry Number Reaxys Citation Type Source 11996928 PubMed citation Europe PMC Last Modified 05 December 2013