CHEBI:67814 - Neurosporaside peracetate

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ChEBI Name Neurosporaside peracetate
ChEBI ID CHEBI:67814
Definition A natural product found in Neurospora crassa.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000008215638
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Formula C92H151NO38
Net Charge 0
Average Mass 1879.16720
Monoisotopic Mass 1877.99141
InChI InChI=1S/C92H151NO38/c1-16-18-20-22-24-26-28-30-31-32-33-34-35-36-37-39-41-43-45-47-49-70(108)88(110)93-68(75(109)69(107)48-46-44-42-40-38-29-27-25-23-21-19-17-2)50-113-89-84(124-65(13)104)80(120-61(9)100)78(118-59(7)98)73(128-89)53-114-90-85(125-66(14)105)81(121-62(10)101)79(119-60(8)99)74(129-90)54-115-91-86(82(122-63(11)102)76(116-57(5)96)71(127-91)51-111-55(3)94)131-92-87(126-67(15)106)83(123-64(12)103)77(117-58(6)97)72(130-92)52-112-56(4)95/h68-87,89-92,107-109H,16-54H2,1-15H3,(H,93,110)/t68-,69+,70+,71+,72+,73+,74+,75-,76-,77+,78-,79-,80-,81-,82-,83-,84+,85+,86+,87+,89+,90+,91+,92+/m0/s1
InChIKey BFMZDAHVXVLZEQ-FZOJFUJKSA-N
SMILES [H][C@@]1(O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)O[C@H]1[C@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC[C@H](NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC)[C@H](O)[C@H](O)CCCCCCCCCCCCCC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
Metabolite of Species Details
Neurospora crassa (NCBI:txid5141) Found in mycelium (BTO:0001436). Lyophilized mycelia extracted with mixture of methanol and chloroform of strain 74 OR23 1 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 Neurosporaside peracetate (CHEBI:67814) has role metabolite (CHEBI:25212)
Neurosporaside peracetate (CHEBI:67814) is a glycosylceramide (CHEBI:62941)
Citation Type Source
21425845 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oligosaccharide(CHEBI:50699); ISA:glycoside(CHEBI:24400); ISA:oxanes(CHEBI:46942); ISA:fatty amide(CHEBI:29348); ISA:amino alcohol(CHEBI:22478); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:carboxamide(CHEBI:37622); ISA:polyol(CHEBI:26191); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);