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CHEBI:221646 - SMTP-15

ChEBI IDCHEBI:221646
ChEBI NameSMTP-15
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42N4O6
Net Charge0
Average Mass542.677
Monoisotopic Mass542.31044
SMILESCC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CN([C@@H](CCCN=C(N)N)C(=O)O)C3=O)C[C@@H]1O
InChIInChI=1S/C29H42N4O6/c1-17(2)8-5-9-18(3)10-6-12-29(4)24(35)15-20-23(34)14-19-21(25(20)39-29)16-33(26(19)36)22(27(37)38)11-7-13-32-28(30)31/h8,10,14,22,24,34-35H,5-7,9,11-13,15-16H2,1-4H3,(H,37,38)(H4,30,31,32)/t22-,24-,29-/m0/s1
InChIKeyBLOIHOSFRVHPMC-AQGBOPFGSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys microspora (ncbitaxon:80391) - PubMed (20842143)
ChEBI Ontology
Outgoing Relation(s)
SMTP-15 (CHEBI:221646) is a arginine derivative (CHEBI:22617)
IUPAC Name 
(2S)-5-(diaminomethylideneamino)-2-[(2S,3S)-2-(4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid
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