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:69630 - 3β,7β-dihydroxy-22(29)-hopene
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3β,7β-dihydroxy-22(29)-hopene
ChEBI ID
CHEBI:69630
ChEBI ASCII Name
3beta,7beta-dihydroxy-22(29)-hopene
Definition
A hopanoid that is hop-22(29)-ene substituted by β-hydroxy groups at positions 3 and 7. It has been isolated from
Hypocrella
species.
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
C30H50O2
Net Charge
0
Average Mass
442.71680
Monoisotopic Mass
442.38108
InChI
InChI=1S/C30H50O2/c1-
18(2)
19-
11-
14-
27(5)
20(19)
12-
16-
29(7)
21(27)
9-
10-
22-
28(6)
15-
13-
24(31)
26(3,4)
23(28)
17-
25(32)
30(22,29)
8/h19-
25,31-
32H,1,9-
17H2,2-
8H3/t19-
,20+,21-
,22-
,23+,24+,25+,27+,28-
,29-
,30+/m1/s1
InChIKey
WJRKSWSWERNJOC-HXLHWMEPSA-N
SMILES
CC(=C)
[C@H]
1CC[C@@]
2(C)
[C@H]
1CC[C@]
1(C)
[C@@H]
2CC[C@@H]
2[C@@]
3(C)
CC[C@H]
(O)
C(C)
(C)
[C@@H]
3C[C@H]
(O)
[C@@]
12C
Metabolite of Species
Details
Hypocrella
(NCBI:txid42305)
Found in mycelium
(BTO:0001436)
. The fungus was isolated form scale insect of strain BCC 14524 See:
PubMed
Roles Classification
Biological Role
(s):
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3β,7β-dihydroxy-22(29)-hopene (
CHEBI:69630
)
has role
fungal metabolite (
CHEBI:76946
)
3β,7β-dihydroxy-22(29)-hopene (
CHEBI:69630
)
is a
diol (
CHEBI:23824
)
3β,7β-dihydroxy-22(29)-hopene (
CHEBI:69630
)
is a
hopanoid (
CHEBI:51963
)
3β,7β-dihydroxy-22(29)-hopene (
CHEBI:69630
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
IUPAC Name
(3β,7β)-hop-22(29)-ene-3,7-diol
Registry Number
Type
Source
21969319
Reaxys Registry Number
Reaxys
Citation
Type
Source
21995505
PubMed citation
Europe PMC
Last Modified
26 May 2015