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Gold ΔMass ✓ Oxidation

CYP90B50

Repeated evolution CYP90B

Substrate reaction site Product reaction site MCS substructure diff highlighting · RDKit atom mapping
Substrate
16S,22S-dihydroxycholesterol
PubChem ↗ C[C@@H]([C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC…
CYP90B50
ΔMass: -2.0157 Da ketone_formation(-2.0157)
Product
16-hydroxy-22-oxo-cholesterol
PubChem ↗ CC(C)CCC(=O)[C@@H](C)[C@H]1C(O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[…

Evidence trail

Excerpts are machine-extracted plain text for biochemical provenance. Follow DOI / PubMed links for the primary literature; publisher figures and PDF images are not displayed here.

Source text excerpt ation; ation; Inferred from LC-MS and chemical logic; compound 5.

Reaction & quality gates

Mechanism
Ketone formation (-2.02 Da)
Evidence type
In vitro
Confidence
Medium
Data tier
Gold
Latin binomial + experiment + dual SMILES + ΔMass pass
Substrate class
Steroids
Product class
Steroids

Literature & public identifiers

PubMed
PMID:31324795 ↗
DOI
10.1038/s41467-019-11286-7 ↗
UniProt
XP_015619622 ↗
GenBank
XP_015619622 ↗
NCBI TaxID

Repeated evolution of cytochrome P450-mediated spiroketal steroid biosynthesis in plants.