Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:69854 - Helogenin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Helogenin
ChEBI ID
CHEBI:69854
Definition
A natural product found in
Chamaelirium luteum
.
Stars
This entity has been manually annotated by a third party.
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
C27H46O5
Net Charge
0
Average Mass
450.65110
Monoisotopic Mass
450.33452
InChI
InChI=1S/C27H46O5/c1-
15(14-
28)
5-
8-
21(30)
16(2)
24-
22(31)
12-
20-
19-
7-
6-
17-
11-
18(29)
9-
10-
26(17,3)
25(19)
23(32)
13-
27(20,24)
4/h6,15-
16,18-
25,28-
32H,5,7-
14H2,1-
4H3/t15-
,16-
,18+,19+,20+,21-
,22+,23-
,24+,25-
,26+,27+/m1/s1
InChIKey
SJLLAOHWHAIKHM-ACCDBCDYSA-N
SMILES
[H]
[C@@]
12CC=C3C[C@@H]
(O)
CC[C@]
3(C)
[C@@]
1([H]
)
[C@H]
(O)
C[C@@]
1(C)
[C@@]
2([H]
)
C[C@H]
(O)
[C@]
1([H]
)
[C@H]
(C)
[C@H]
(O)
CC[C@@H]
(C)
CO
Metabolite of Species
Details
Chamaelirium luteum
(NCBI:txid112831)
Found in root
(BTO:0001188)
. 80% methanol extract of powdered roots. See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Helogenin (
CHEBI:69854
)
has role
metabolite (
CHEBI:25212
)
Helogenin (
CHEBI:69854
)
is a
steroid (
CHEBI:35341
)
Citation
Type
Source
21692443
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:11alpha-hydroxy steroid(CHEBI:19129); ISA:16beta-hydroxy steroid(CHEBI:17354); ISA:3beta-hydroxy steroid(CHEBI:36836); ISA:steroid(CHEBI:35341); ISA:aliphatic alcohol(CHEBI:2571); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:primary alcohol(CHEBI:15734);