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Chemical Entities of Biological Interest Ontology
Last uploaded:
November 5, 2024
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| Preferred Name | micafungin sodium | |
| Synonyms |
FK463 Micafungin sodium |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_80105 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D02465 CAS:208538-73-2 KEGG:C15819
|
|
| formula |
C56H70N9NaO23S
|
|
| has_exact_synonym |
Micafungin sodium
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
FK463
|
|
| id |
CHEBI:80105
|
|
| in_subset | ||
| inchi |
InChI=1S/C56H71N9O23S.Na/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76;/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85);/q;+1/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+;/m0./s1
|
|
| inchikey |
KOOAFHGJVIVFMZ-WZPXRXMFSA-M
|
|
| label |
micafungin sodium
|
|
| mass |
1292.25600
|
|
| monoisotopicmass |
1291.42029
|
|
| notation |
CHEBI:80105
|
|
| prefLabel |
micafungin sodium
|
|
| smiles |
[Na+].CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)c(OS([O-])(=O)=O)c1)[C@H](O)CC(N)=O
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| treeView | ||
| subClassOf |
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