CHEBI:65917 - FR901469 hydrochloride

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ChEBI Name FR901469 hydrochloride
ChEBI ID CHEBI:65917
Definition A hydrochloride salt resulting from the mixture of equimolar amounts of FR901469 and hydrogen chloride. It is isolated from an unidentified Fungus and exhibits antifungal and antipneumonic activities.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C71H117ClN14O23
Net Charge 0
Average Mass 1570.22200
Monoisotopic Mass 1568.81045
InChI InChI=1S/C71H116N14O23.ClH/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)78-55(38(5)86)65(101)75-37(4)61(97)77-47(30-42-23-25-43(90)26-24-42)62(98)80-54(36(2)3)69(105)85-35-44(91)31-48(85)63(99)81-57(40(7)88)67(103)82-58(41(8)89)70(106)84-29-27-49(92)60(84)68(104)83-59(50(93)33-51(73)94)64(100)74-34-53(96)79-56(39(6)87)66(102)76-46(22-20-28-72)71(107)108-45;/h23-26,36-41,44-50,54-60,86-93H,9-22,27-35,72H2,1-8H3,(H2,73,94)(H,74,100)(H,75,101)(H,76,102)(H,77,97)(H,78,95)(H,79,96)(H,80,98)(H,81,99)(H,82,103)(H,83,104);1H/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49+,50-,54+,55-,56-,57-,58+,59+,60+;/m1./s1
InChIKey VZZJOONOWFZKHA-PVFJZINBSA-N
SMILES Cl.CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN)C(=O)O1
Metabolite of Species Details
Fungi of strain 11243 See: PubMed
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing FR901469 hydrochloride (CHEBI:65917) has part FR901469(1+) (CHEBI:68659)
FR901469 hydrochloride (CHEBI:65917) has role antifungal agent (CHEBI:35718)
FR901469 hydrochloride (CHEBI:65917) has role antimicrobial agent (CHEBI:33281)
FR901469 hydrochloride (CHEBI:65917) has role metabolite (CHEBI:25212)
FR901469 hydrochloride (CHEBI:65917) is a hydrochloride (CHEBI:36807)
IUPAC Name
(3R)-3-[(2R,6S,9S,12R,15R,19R,22S,25R,31S,33aS,34S,39S,42R,44aS)-22-(3-aminopropyl)-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tetrakis[(1R)-1-hydroxyethyl]-12-methyl-5,8,11,14,17,21,24,27,30,33,38,41,44-tridecaoxo-6-(propan-2-yl)-19-tridecyltetracontahydro-1H,5H,21H-dipyrrolo[2,1-:o2',1'-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodecaazacyclotetracontin-31-yl]-3-hydroxypropanamide hydrochloride
Registry Number Type Source
8756288 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11099224 PubMed citation Europe PMC
11099225 PubMed citation Europe PMC
11560378 PubMed citation Europe PMC
Last Modified
09 October 2012