Concept information
Preferred term
Megapolibactin Acyc
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C36H61N11O18
inchi
- InChI=1S/C36H61N11O18/c1-4-5-6-7-8-11-21(49)16-25(50)37-17-26(51)42-28(29(52)35(58)59)34(57)41-24-18-65-36(60)23(13-10-15-47(64)45-62)40-30(53)19(2)38-31(54)22(12-9-14-46(63)44-61)39-33(56)27(20(3)48)43-32(24)55/h19-24,27-29,48-49,52,61-62H,4-18H2,1-3H3,(H,37,50)(H,38,54)(H,39,56)(H,40,53)(H,41,57)(H,42,51)(H,43,55)(H,58,59)/t19-,20+,21+,22+,23+,24-,27+,28+,29+/m0/s1
inchikey
- KGDZOMCKCJGCOA-HRUAGVTDSA-N
mass
- 935.943
monoisotopicmass
- 935.41960
smiles
- O=C1OC[C@H](NC(=O)[C@H](NC(=O)CNC(=O)C[C@H](O)CCCCCCC)[C@@H](O)C(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H]1CCC[N+]([O-])=NO)=O)C)=O)CCC[N+]([O-])=NO)[C@H](O)C
subset
- 2_STAR
synonym EXACT
- 3-[(3R,6S,9R,12R,15S)-15-[[(2R,3R)-3-carboxy-3-hydroxy-2-[[2-[[(3R)-3-hydroxydecanoyl]amino]acetyl]amino]propanoyl]amino]-12-[(1R)-1-hydroxyethyl]-3-[3-[hydroxyimino(oxido)azaniumyl]propyl]-6-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-9-yl]propyl-hydroxyimino-oxidoazanium
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:221358
{{label}}
{{#each values }} {{! loop through ConceptPropertyValue objects }}
{{#if prefLabel }}
{{/if}}
{{/each}}
{{#if notation }}{{ notation }} {{/if}}{{ prefLabel }}
{{#ifDifferentLabelLang lang }} ({{ lang }}){{/ifDifferentLabelLang}}
{{#if vocabName }}
{{ vocabName }}
{{/if}}