papulacandin B (CHEBI:569624)

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CHEBI:569624 - papulacandin B

ChEBI ID	CHEBI:569624
ChEBI Name	papulacandin B
Stars
Definition	A papulacandin that is papulacandin A in which the (2E,4E)-deca-2,4-dienoyl chain at the O-(6') position is replaced by a (2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl chain. It is the major carbohydrate-containing antibiotic from the deuteromycetous fungus Papularia sphaerosperma which shows potent antifungal activity against Candida albicans.
Last Modified	27 February 2013
Downloads	Molfile

Formula	C47H64O17
Net Charge	0
Average Mass	901.012
Monoisotopic Mass	900.41435
SMILES	CCC(O)/C=C/C=C\C=C\C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(=O)/C=C/C=C/C[C@H](O)/C(C)=C/C=C/CC[C@@H](C)CC)[C@@H](O)[C@@]3(OCc4cc(O)cc(O)c43)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChI	InChI=1S/C47H64O17/c1-5-28(3)17-11-9-12-18-29(4)33(51)20-14-10-16-22-38(54)62-44-43(35(25-48)64-47(45(44)58)39-30(26-60-47)23-32(50)24-34(39)52)63-46-42(57)41(56)40(55)36(61-46)27-59-37(53)21-15-8-7-13-19-31(49)6-2/h7-10,12-16,18-19,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,11,17,20,25-27H2,1-4H3/b8-7-,12-9+,14-10+,19-13+,21-15+,22-16+,29-18+/t28-,31?,33-,35+,36+,40-,41-,42+,43+,44-,45+,46-,47-/m0/s1
InChIKey	UJLFRJFJTPPIOK-RZGJRGQUSA-N

Wikipedia

Roles Classification

Biological Roles:

antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	papulacandin B (CHEBI:569624) has functional parent α-lactose (CHEBI:36219)
	papulacandin B (CHEBI:569624) has role antifungal agent (CHEBI:35718)
	papulacandin B (CHEBI:569624) has role metabolite (CHEBI:25212)
	papulacandin B (CHEBI:569624) is a disaccharide derivative (CHEBI:63353)
	papulacandin B (CHEBI:569624) is a organic heterotricyclic compound (CHEBI:26979)
	papulacandin B (CHEBI:569624) is a papulacandin (CHEBI:72596)

IUPAC Name
(1S,3'R,4'R,5'R,6'R)-3',5,7-trihydroxy-5'-({6-O-[(2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl]-β-D-galactopyranosyl}oxy)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[2-benzofuran-1,2'-pyran]-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

Synonym	Source
papulacandin-B	ChEBI

Manual Xrefs	Databases
Papulacandin_B	Wikipedia

Registry Numbers	Sources
Reaxys:7682569	Reaxys
CAS:61032-80-2	ChemIDplus

Citations