CHEBI:221184 - Microviridin J

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Microviridin J
ChEBI ID CHEBI:221184
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C80H105N19O22
Net Charge 0
Average Mass 1684.831
Monoisotopic Mass 1683.76816
InChI InChI=1S/C80H105N19O22/c1-5-40(2)65(86-42(4)101)76(115)96-59(38-100)73(112)98-66-41(3)121-64(105)36-56-72(111)92-55(34-45-37-85-50-17-9-7-15-48(45)50)71(110)90-54-26-28-63(104)120-39-60(74(113)93-56)97-75(114)61-20-13-31-99(61)78(117)57(32-43-21-23-47(102)24-22-43)94-68(107)51(88-67(106)52(91-77(66)116)19-12-30-84-80(81)82)18-10-11-29-83-62(103)27-25-53(89-69(54)108)70(109)95-58(79(118)119)35-46-33-44-14-6-8-16-49(44)87-46/h6-9,14-17,21-24,33,37,40-41,51-61,65-66,85,87,100,102H,5,10-13,18-20,25-32,34-36,38-39H2,1-4H3,(H,83,103)(H,86,101)(H,88,106)(H,89,108)(H,90,110)(H,91,116)(H,92,111)(H,93,113)(H,94,107)(H,95,109)(H,96,115)(H,97,114)(H,98,112)(H,118,119)(H4,81,82,84)/t40?,41-,51+,52?,53+,54-,55+,56?,57+,58+,59+,60+,61+,65?,66-/m1/s1
InChIKey UJWZCJCSZSBGRS-DCVOKETJSA-N
SMILES O=C1N[C@H](C(=O)N[C@H](C(=O)O)CC=2NC=3C=CC=CC3C2)CCC(=O)NCCCC[C@@H]4NC(=O)C(CCCNC(=N)N)NC([C@@H]([C@H](OC(CC5C(N[C@H](C(N[C@@H]1CCC(=O)OC[C@H](NC(=O)[C@H]6N(C(=O)[C@H](CC7=CC=C(O)C=C7)NC4=O)CCC6)C(=O)N5)=O)CC=8C9=C(C=CC=C9)NC8)=O)=O)C)NC(=O)[C@@H](NC(=O)C(NC(=O)C)C(CC)C)CO)=O
Metabolite of Species Details
Microcystis (NCBI:txid1125) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Microviridin J (CHEBI:221184) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-2-[[(1S,4S,10S,13S,19R,22S,29R,30R,44S)-30-[[(2S)-2-[(2-acetamido-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-33-(3-carbamimidamidopropyl)-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-2,5,11,16,21,24,27,31,34,41,46,48-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decazatetracyclo[17.16.11.213,25.06,10]octatetracontane-44-carbonyl]amino]-3-(1H-indol-2-yl)propanoic acid