loading...| Preferred Name |
pradimicin A |
| Synonyms |
(2R)-2-({[(5S,6S)-1,6,9,14-tetrahydroxy-5-{[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}amino)propanoic acid |
| Definitions |
A member of the class of pradimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557). |
| ID |
http://purl.obolibrary.org/obo/CHEBI_8349 |
| charge |
0 |
| database_cross_reference |
PMID:17050611 PMID:2211352 PMID:21598364 PMID:2345961 PMID:2167304 CAS:117704-65-1 PMID:21942374 Reaxys:4645458 KEGG:C06784 PMID:2199421 PMID:23832850 |
| definition |
A member of the class of pradimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557). |
| formula |
C40H44N2O18 |
| has functional parent | |
| has_exact_synonym |
(2R)-2-({[(5S,6S)-1,6,9,14-tetrahydroxy-5-{[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}amino)propanoic acid |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:8349 |
| in_subset | |
| inchi |
InChI=1S/C40H44N2O18/c1-11-6-18-24(31(49)21(11)37(53)42-12(2)38(54)55)23-16(9-17-25(32(23)50)28(46)15-7-14(56-5)8-19(43)22(15)27(17)45)29(47)35(18)59-40-34(52)36(26(41-4)13(3)58-40)60-39-33(51)30(48)20(44)10-57-39/h6-9,12-13,20,26,29-30,33-36,39-41,43-44,47-52H,10H2,1-5H3,(H,42,53)(H,54,55)/t12-,13-,20-,26+,29+,30+,33-,34-,35+,36+,39+,40+/m1/s1 |
| inchikey |
WPICPWIIIBCXCV-NJGWPHBESA-N |
| label |
pradimicin A |
| mass |
840.78000 |
| monoisotopicmass |
840.25891 |
| notation |
CHEBI:8349 |
| prefLabel |
pradimicin A |
| smiles |
CN[C@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)N[C@H](C)C(O)=O)c(C)cc23)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_83230 http://purl.obolibrary.org/obo/CHEBI_33575 http://purl.obolibrary.org/obo/CHEBI_83943 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_63353 http://purl.obolibrary.org/obo/CHEBI_35681 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_83230 http://purl.obolibrary.org/obo/CHEBI_33575 http://purl.obolibrary.org/obo/CHEBI_83943 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_63353 http://purl.obolibrary.org/obo/CHEBI_35681 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C058036 | Medical Subject Headings / 医学主题词表 | LOOM |