CHEBI:79943 - 1'H-5alpha-Cholest-2-eno[3,2-b]indole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1'H-5alpha-Cholest-2-eno[3,2-b]indole
ChEBI ID CHEBI:79943
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C33H49N
Net Charge 0
Average Mass 459.74890
Monoisotopic Mass 459.38650
InChI InChI=1S/C33H49N/c1-21(2)9-8-10-22(3)27-15-16-28-25-14-13-23-19-31-26(24-11-6-7-12-30(24)34-31)20-33(23,5)29(25)17-18-32(27,28)4/h6-7,11-12,21-23,25,27-29,34H,8-10,13-20H2,1-5H3/t22-,23+,25+,27-,28+,29+,32-,33+/m1/s1
InChIKey UJPMSSIEJPGKGY-YHPMGPRQSA-N
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Cc5[nH]c6ccccc6c5C[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 1'H-5alpha-Cholest-2-eno[3,2-b]indole (CHEBI:79943) has parent hydride pregnane (CHEBI:8386)
1'H-5alpha-Cholest-2-eno[3,2-b]indole (CHEBI:79943) is a steroid (CHEBI:35341)
Manual Xref Database
C15445 KEGG COMPOUND
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