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pneumocandin B0

CHEBI:CHEBI_131609

Definition

An echinocandin initially isolated as a very minor bioactive fermentation product of Glarea lozoyensis (originally known as Zalerion arboricola). Subsequent random mutagenesis work and optimisation of the fermentation medium permitted the industrial production of pneumocandin B0, which is used as the starting point for the synthesis of the antifungal drug caspofungin.

Chemical Information

Molecular Formula
C50H80N8O17
Molecular Mass
1065.216
Charge
0
SMILES
[C@@]12(N(C[C@@H](C1)O)C([C@H]([C@@H](C)O)NC(=O)[C@](C[C@H]([C@@H](O)NC([C@@H]3[C@H](CCN3C([C@H]([C@@H](CC(N)=O)O)NC(=O)[C@H]([C@@H]([C@H](C4=CC=C(C=C4)O)O)O)NC2=O)=O)O)=O)O)(NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)[H])=O)[H]
InChI
InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25-,26+,27+,30+,31-,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,46+/m0/s1
InChIKey
DQXPFAADCTZLNL-FXDJFZINSA-N

Alternative Names

  • L 688,786
  • L-688,786
  • L-688786
  • pneumocandin B(0)
  • pneumocardin B(0)
  • (10R,12S)-N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
Wikipedia:Pneumocandin_Bo
core#notation
CHEBI:131609

Additional References

Wikipedia:Pneumocandin_Bo

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Wikipedia:Pneumocandin_Bo
oboInOwl#id
CHEBI:131609
core#notation
CHEBI:131609
listing_expiration_date
20251231
dosage_form
POWDER
marketing_start_date
20210101
product_type
BULK INGREDIENT
marketing_category
BULK INGREDIENT
active_ingredient_strength
1 kg/kg
package_marketing_start_date
01-JAN-21
generic_name
Pneumocandin B0
product_ndc
78772-001
labeler_name
GUANGDONG NEWDARIN BIOTECHNOLOGY CO., LTD.
spl_id
100c8326-2649-e421-e063-6294a90abc2b
active_ingredient_name
PNEUMOCANDIN B0
package_ndc
78772-001-01
package_description
1 kg in 1 BAG (78772-001-01)
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76946
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_474180
owl#annotatedSource
t96724
owl#someValuesFrom
t228116