loading...| Preferred Name |
GE2270A |
| Synonyms |
GE2270A (2S)-1-{[(4S)-2-{2-[(18S,25S,35S)-35-[(R)-hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-25-(1-methylethyl)-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1~2,5~.1~12,15~.1~19,22~.1~26,29~.0~6,11~]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}pyrrolidine-2-carboxamide (non-preferred name) |
| ID |
http://purl.obolibrary.org/obo/CHEBI_29584 |
| charge |
0 |
| database_cross_reference |
PDBeChem:GEA KEGG:C12068 |
| formula |
C56H55N15O10S6 |
| has_alternative_id |
CHEBI:42746 |
| has_exact_synonym |
GE2270A |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
(2S)-1-{[(4S)-2-{2-[(18S,25S,35S)-35-[(R)-hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-25-(1-methylethyl)-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1~2,5~.1~12,15~.1~19,22~.1~26,29~.0~6,11~]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}pyrrolidine-2-carboxamide (non-preferred name) |
| id |
CHEBI:29584 |
| in_subset | |
| inchi |
InChI=1S/C56H55N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,20-24,29-30,35,39,43-44,74H,9,12,15-19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78)/t29-,30-,35-,39-,43-,44+/m0/s1 |
| inchikey |
JMDULECOHIXMNX-VSZBTWEISA-N |
| label |
GE2270A |
| mass |
1290.52700 |
| monoisotopicmass |
1289.258 |
| notation |
CHEBI:29584 |
| prefLabel |
GE2270A |
| smiles |
[H]O[C@]([H])(c1c([H])c([H])c([H])c([H])c1[H])[C@]1([H])N([H])C(=O)C([H])([H])N([H])C(=O)c2nc(sc2C([H])([H])OC([H])([H])[H])[C@@]([H])(N([H])C(=O)c2nc(sc2C([H])([H])[H])[C@@]([H])(N([H])C(=O)c2nc(sc2[H])-c2c([H])c([H])c(nc2-c2nc(sc2[H])-c2nc1sc2[H])-c1nc(c([H])s1)C1=N[C@]([H])(C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C(=O)N([H])[H])C([H])([H])O1)C([H])([H])C(=O)N([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_29584 | GenEpiO | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_29584 | GenEpiO | SAME_URI | |
| http://purl.bioontology.org/ontology/MESH/C068122 | Medical Subject Headings | LOOM |